Datasets

Xwyt5p6mgmwc%3d&expires=1496098748

IR

IR (ATR, ν): 3311, 2959, 2162, 1605, 1505, 1436, 1331,1251, 1203, 1179, 1140, 1112, 1031, 1009, 964, 857, 835, 758, 744, 733, 702, 682, 634, 545, 520, 440 cm-1.

Virtual DOI: 10.14272/VESRFTBLNOOWLQ-ATVHPVEESA-N/IR.1

m 361

S2092

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Mass/EI

EI (m/z, 70 eV, 100 °C): 285 (5) [M+], 271 (8), 270 (25), 184 (100), 156 (4),
130 (6), 75 (5), 43 (10). – HRMS (C13H14F3NOSi): calc. 285.0791, found. 285.0792

Virtual DOI: 10.14272/VESRFTBLNOOWLQ-ATVHPVEESA-N/Mass/EI.1

m 361

S2092

Fc9r1j0%3d&expires=1496098748

NMR/13C/CDCl3/75

13C NMR (75 MHz, CDCl3, ppm), δ = 0.1 (3 C), 97.1, 104.3, 120.8 (q, 1J = 275 Hz), 126.0, 128.9 (2 C), 132.2 (2 C), 147.2 (q, 2J = 32.4 Hz).

Virtual DOI: 10.14272/VESRFTBLNOOWLQ-ATVHPVEESA-N/NMR/13C/CDCl3/75.1

m 361

S2092

Zkuuzkvptvqm7lfk%2bc%3d&expires=1496098748

NMR/1H/CDCl3/300

1H NMR (300 MHz, CDCl3, ppm), δ = 0.26 (s, 9 H), 7.47–7.57 (m, 4 H), 9.57 (s, 1 H).

Virtual DOI: 10.14272/VESRFTBLNOOWLQ-ATVHPVEESA-N/NMR/1H/CDCl3/300.1

m 361

S2092

Thumb 1  4  ethynyl  1 1  biphenyl  4 yl  2 2 2 trifluoroethanone oxime

NMR/1H/CDCl3/250

1 H NMR (300 MHz, CDCl3, ppm), δ = 3.12 (s, 1 H), 7.55–7.68 (m, 8 H), 8.51 (s, 1 H).

Virtual DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/NMR/1H/CDCl3/250.1

m 150

sample of (E)-1-(4'-ethynyl-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Thumb 1  4  ethynyl  1 1  biphenyl  4 yl  2 2 2 trifluoroethanone oxime

NMR/13C/CDCl3/75

13C NMR (75 MHz, CDCl3, ppm), δ = 78.3, 83.3, 118.8, 121.9, 125.2, 127.1 (q,1J = 234 Hz), 127.2 (2 C), 129.3 (2 C), 132.7 (2 C), 140.3 (2 C), 142.5, 147.4 (q, 2J = 32.5 Hz)

Virtual DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/NMR/13C/CDCl3/75.1

m 150

sample of (E)-1-(4'-ethynyl-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Nopreview

IR

IR (ATR, ν): 3287, 2919, 1715, 1604, 1491, 1448, 1399, 1336, 1251, 1207, 1176, 1139, 1035, 1010, 963, 822, 746, 725, 645, 621, 558, 537, 518, 430 cm-1

Virtual DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/IR.1

m 150

sample of (E)-1-(4'-ethynyl-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Nopreview

Mass/EI

EI-MS (m/z, 70 eV, 60 °C): 289 (100) [M+], 265 (27), 203 (22), 178 (12), 154 (8), 120 (4), 89 (4), 77 (29), 58 (9), 43 (48). – HRMS (C16H10F3NO): calc. 289.0714, found. 289.0711. 

Virtual DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/Mass/EI.1

m 150

sample of (E)-1-(4'-ethynyl-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Thumb 1  4  bromo  1 1  biphenyl  4 yl  2 2 2 trifluoroethanone oxime

NMR/1H/CDCl3/250

1 H NMR (250 MHz, CDCl3, ppm), δ = 7.43–7.53 (m, 2 H), 7.55–7.69 (m, 6 H), 9.07 (s, 1 H).

Virtual DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/NMR/1H/CDCl3/250.1

m 159

sample of (E)-1-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Vtodkmynqshsw57qorcu8%3d&expires=1496098748

NMR/13C/CDCl3/62.5

13C NMR (63 MHz, CDCl3, ppm), δ = 118.4 (q, 1= 275.3 Hz), 122.5, 125.0, 127.0 (2 C), 128.8 (2 C), 129.3 (2 C), 132.1 (2 C), 138.8, 142.3, 147.4 (q, 3= 32.3 Hz). 

Virtual DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/NMR/13C/CDCl3/62.5.1

m 159

sample of (E)-1-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Nopreview

IR

IR (ATR, ν): 3256, 1906, 1719, 1607, 1587, 1482, 1445, 1411, 1390, 1341, 1319, 1189, 1139, 1080, 1037, 1009, 966, 949, 853, 814, 775, 742, 708, 672, 626, 610, 553, 519, 492 cm-1.

Virtual DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/IR.1

m 159

sample of (E)-1-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Nopreview

Mass/EI

EI-MS (m/z, 70 eV, 30 °C): 343/345 (1/1), 222 (12), 176 (13), 149 (100), 132 (2), 121 (4), 105 (6), 93 (4), 77 (2), 58 (3). – HRMS (C14H9F3NOBr): calc. 342.9820, found. 342.9816

Virtual DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/Mass/EI.1

m 159

sample of (E)-1-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

Thumb 1481 1h

NMR/1H/CDCl3/250

­1H NMR (250 MHz, CDCl3, ppm), δ = 1.22 (d, J = 6.7 Hz, 6 H), 4.14 - 4.30 (m, 1 H), 6.34 (d, J = 5.8 Hz, 1 H), 7.44 - 7.53 (m, 2 H), 7.56 - 7.64 (m, 2 H).

Virtual DOI: 10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1

m 860

sample of 4-bromo-N-propan-2-ylbenzamide

Thumb masse

Mass/EI

MS (70 eV, EI, 60°C) m/z (%): 243/241 (39/32), 226/228 (12/12), 185/183 (100/97), 157/155 (30/31), 104 (13), 76 (29), 75 (18)

– HRMS (C10H12ONBr): ber. 241.0097;  gef. 241.0095.

Virtual DOI: 10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N/Mass/EI.1

m 860

sample of 4-bromo-N-propan-2-ylbenzamide

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IR

IR (ATR): ν˜=  3295, 2974, 1625, 1588, 1564, 1536, 1478, 1348, 1322, 1291, 1162, 1129, 1070, 1011, 882, 843, 829, 760, 701, 676, 623, 533, 463, 427cm–1.

Virtual DOI: 10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N/IR.1

m 860

sample of 4-bromo-N-propan-2-ylbenzamide

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NMR/13C/CDCl3/62.5

13C NMR (62,5 MHz, CDCl3), δ = 22.6 (2 C), 41.9, 125.7, 128.5 (2 C), 131.5 (2 C), 133.7, 165.7 ppm.

Virtual DOI: 10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1

m 860

sample of 4-bromo-N-propan-2-ylbenzamide

Axq9pmu%3d&expires=1496098749

NMR/13C/CDCl3/62.5

13C NMR (CDCl3, 62.5 MHz) δ = 154.4 (SCS), 153.9 (CArN), 150.5 (CN), 141.8 (CArCH2), 134.7 (CAr), 130.6 (2 CAr), 129.2 (CAr), 128.3 (CAr), 128.2 (2 CAr), 128.0 (CAr), 121.9 (CAr), 121.4 (CAr), 65.2 (CH2OH), 29.7 (SCH2), 28.7 (SCH2), 24.3 (CH2) ppm.

Virtual DOI: 10.14272/ADTLMTMRZNXYOP-FMQUCBEESA-N/NMR/13C/CDCl3/62.5

m 66

S836

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TLC

Rf = 0.11 (cyclohexane:ethyl actetate, 4:1)

Virtual DOI: 10.14272/ADTLMTMRZNXYOP-FMQUCBEESA-N/TLC

m 66

S836

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Raman

Raman (Bruker-Multiram, 1064 nm, 180 mW) 3059, 2918, 1593, 1534, 1489, 1438, 1409, 1314, 1244, 1200, 1161, 1133, 1093, 1029, 999, 648, 608, 512, 453, 365, 293, 260, 235 cm-1.

Virtual DOI: 10.14272/ADTLMTMRZNXYOP-FMQUCBEESA-N/Raman

m 66

S836

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UV-VIS

UV/VIS (CHCl3): lambda max (log epsilon) = 287 (3.9), 360 (3.8) nm.

Virtual DOI: 10.14272/ADTLMTMRZNXYOP-FMQUCBEESA-N/UV-VIS

m 66

S836

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IR

IR (ATR) = 3305, 1592, 1487, 1049, 786, 696, 451 cm-1.

Virtual DOI: 10.14272/ADTLMTMRZNXYOP-FMQUCBEESA-N/IR

m 66

S836

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NMR/1H/CDCl3/300

1H NMR (CDCl3, 300 MHz, δ) = 7.73 (s, 1 H), 7.29 (d, 3J = 1.6 Hz, 1 H), 6.70 (d, 3J = 8.1 Hz, 1 H), 6.59 (d, 3J = 8.1 Hz, 1 H), 4.91 (s, 1 H), 2.96 (dd, J = 8.7 Hz,  J = 3.2 Hz, 4 H), 2.47 (quin., 3J = 7.7 Hz, 2 H), 2.28 (s, 3 H), 2.21-2.06 (m, 1 H), 2.03-1.82 (m, 1 H), 1.23 (t, 3J = 7.7 Hz, 3 H).

Virtual DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/1H/CDCl3/300

m 98

S837

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NMR/13C/CDCL3/100

13C NMR (100 MHz, CDCl3, δ) = 9.8, 20.7, 21.2, 25.9, 30.9 (2 C), 55.9, 110.0, 113.9, 119.6, 131.1, 134.1, 143.6, 145.5.

Virtual DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/13C/CDCL3/100

m 98

S837

Pv2bm%3d&expires=1496098749

Mass/EI

EI MS (70 eV, 80 °C) m/z (%) = 406 [M+] (0,5), 213 (15), 84 (100). - HRMS (M+ - I, C14H19IN2S) = calc. 280.1062, found 280.1060.

Virtual DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/Mass/EI

m 98

S837

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IR

IR (ATR) ν = 2901, 1600, 1564, 1510, 1458, 1422, 1376, 1340, 1273, 1167, 1129, 1027, 970, 888, 823, 728, 686, 666, 435 cm-1

Virtual DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/IR

m 98

S837

Nopreview

NMR/1H/CDCL3/300

1H NMR (300 MHz, CDCl3, ppm), δ = 0.98 (t, J = 7.4 Hz, 3 H, CH3), 2.15 (quin, J = 6.8 Hz, 2 H, CH2), 2.72 (q, J = 7.4 Hz, 2 H, CH2CH3), 2.99 (t, J = 6.8 Hz, 4 H, SCH2), 7.02-7.12 (m, 2 H, HAr), 7.70-7.79 (m, 2 H, HAr).

Virtual DOI: 10.14272/WYTXTCCQUJCGJW-FOCLMDBBSA-N/NMR/1H/CDCL3/300

m 26

S857

Thumb 1d13c

NMR/13C/CDCl3/100

170.8, 169.3, 169.3, 169.1, 137.6, 128.5, 128.0, 127.8, 92.0, 80.0, 74.2, 73.0, 71.5, 69.0, 61.8, 20.9, 20.8, 20.8, 20.7

Virtual DOI: 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/NMR/13C/CDCl3/100

m 182

S845

Thumb 1d1h

NMR/1H/CDCl3/400

6.73 (d, 1H, 3J = 8.7 Hz, NH), 5.84 (dddd, 1H, 3Jtrans = 17.0 Hz, 3Jcis = 10.6 Hz, 3J = 6.3 Hz, 3J = 5.7 Hz, CH2CH=CH2), 5.34 (dd, 1H, 3J = 10.7 Hz, 3J = 9.3 Hz, 3-H), 5.23 (dq, 1H, 3Jtrans = 17.2 Hz, 2J  and 4J = 1.6 Hz, CH2CH=CHcisHtrans), 5.21 (dq, 1H, 3Jcis = 10.4 Hz, 2J  and 4J = 1.6 Hz, CH2CH=CHcisHtrans), 5.13 (dd, 1H, 3J = 9.7 Hz, 3J = 9.5 Hz, 4-H), 4.72 (d, 1H, 3J = 8.3 Hz, 1-H), 4.36 (ddt, 1H, 2J = 13.0 Hz, 3J = 5.0 Hz, 4J = 1.5 Hz, CHaHbCH=CH2), 4.29 (dd, 1H, 2J = 12.3 Hz, 3J = 4.8 Hz, 6a-H), 4.16 (dd, 1H, 2J = 12.3 Hz, 3J = 2.4 Hz, 6b-H), 4.09 (ddt, 1H, 2J = 13.0 Hz, 3J = 6.4 Hz, 4J = 1.3 Hz, CHaHbCH=CH2), 3.97 (dt, 1H, 3J = 10.7 Hz, 3J = 8.5 Hz, 2-H), 3.72 (ddd, 1H, 3J = 9.9 Hz, 3J = 4.7 Hz, 3J = 2.5 Hz, 5-H), 2.10 (s, 3H, CH3CO), 2.04 (s, 3H, CH3CO), 2.03 (s, 3H, CH3CO)

Virtual DOI: 10.14272/XFNLWZCTEDTRGB-KJWHEZOQSA-N/NMR/1H/CDCl3/400

m 172

S847

Kdwrao6pkss2x6gofwq%3d&expires=1496098749

NMR/13C/CDCl3/100

= 170.8 (Cquart,  CO), 170.7 (Cquart,  CO), 169.3 (Cquart,  CO), 161.9 (Cquart,  CTCAO), 133.1 (+, CH2CH=CH2), 118.2 (–, CH2CH=CH2), 99.3 (+,  CH), 92.2 (Cquart,  CCl3), 72.0 (+,  CH), 71.4 (+, CH), 70.3 (–,  CH2CH=CH2), 68.3 (+,  CH), 62.0 (–, CH2, C-6), 56.1 (+,  CH), 20.7 (+,  CH3CO), 20.6 (+, CH3CO), 20.5 (+,  CH3CO)

Virtual DOI: 10.14272/XFNLWZCTEDTRGB-KJWHEZOQSA-N/NMR/13C/CDCl3/100

m 172

S847

8zi3rw%3d&expires=1496098749

IR

3290 (w), 1743 (m), 1693 (m), 1213 (s) 1032 (s)

Virtual DOI: 10.14272/XFNLWZCTEDTRGB-KJWHEZOQSA-N/IR

m 172

S847