2,2,2-trifluoro-1-(4-((trimethylsilyl)ethynyl)phenyl)ethanone oxime

m 361

Formula: C13H14F3NOSi

Canonical Smiles: O/N=C(\C(F)(F)F)/c1ccc(cc1)C#C[Si](C)(C)C

Inchi: InChI=1S/C13H14F3NOSi/c1-19(2,3)9-8-10-4-6-11(7-5-10)12(17-18)13(14,15)16/h4-7,18H,1-3H3/b17-12-

Inchikey: VESRFTBLNOOWLQ-ATVHPVEESA-N

Mass: 285.08

Publication (over 2 years ago)

Authors:

Irina Protasova

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/VESRFTBLNOOWLQ-ATVHPVEESA-N

Characterization

Thumb 2 2 2 trifluoro 1  4   trimethylsilyl ethynyl phenyl ethanone oxime

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).

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

Thumb 2 2 2 trifluoro 1  4   trimethylsilyl ethynyl phenyl ethanone oxime

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).

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

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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.

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

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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

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


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