new [C@H]1([C@H](C(O[C@@H]([C@H]1O)CO)O)/N=C/c1ccc(cc1)OC)O

m 168

Formula: C14H19NO6

Canonical Smiles: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)/N=C/c1ccc(cc1)OC

Inchi: InChI=1S/C14H19NO6/c1-20-9-4-2-8(3-5-9)6-15-11-13(18)12(17)10(7-16)21-14(11)19/h2-6,10-14,16-19H,7H2,1H3/b15-6+/t10-,11-,12-,13-,14?/m1/s1

Inchikey: NMMULIPYJSFGRK-NORGFBNHSA-N

Mass: 297.12

Publication (almost 4 years ago)

Authors:

Benjamin Goerling

Affiliation:

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

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N.1

Characterization

Thumb 1d13c dept90

DEPT/90

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/DEPT/90

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DEPT/135

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/DEPT/135


Publication (almost 4 years ago)

Authors:

Benjamin Goerling

Affiliation:

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

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N

Characterization

Thumb 1d1h

NMR/1H/DMSO/400

8.11 (s, 1H, CH=N), 7.68 (d, 2H, 3J = 8.7 Hz, Ar), 6.99 (d, 2H, 3J = 8.7 Hz, Ar), 6.54 (d, 1H, 3J = 6.7 Hz), 4.94 (d, 1H, 3J = 5.3 Hz), 4.83 (d, 1H, 3J = 5.6 Hz), 4.69 (t, 1H, 3J = 7.2 Hz), 4.56 (t, 1H, 3J = 5.8 Hz), 3.80 (s, 3H, OCH3), 3.72 (ddd, 1H, 3J = 11.5 Hz, 3J = 5.6 Hz, 4J = 1.7 Hz), 3.52–3.38 (m, 2H), 3.26–3.19 (m, 1H), 3.18–3.10 (m, 1H), 2.78 (dd, 1H, 3J = 8.1 Hz, 3J = 8.8 Hz)

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/NMR/1H/DMSO/400

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NMR/13C/DMSO/100

161.2 (+,  2 × CaromH), 161.0 (Cquart,  Carom), 129.6 (+, 2 × CaromH), 129.1 (Cquart,  Carom), 113.9 (+,  CH=N), 95.6 (+, CH), 78.2 (+, CH), 76.8 (+,  CH), 74.6 (+,  CH), 70.3 (+,  CH), 61.2 (–, CH2, C-6), 55.2 (+,  CH3O)

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/NMR/13C/DMSO/100

Z4oivco%3d&expires=1508410209

IR

3458 (w), 3317 (w), 2932 (vw), 1638 (w), 1604 (w), 1515 (w), 1268 (m), 1062 (m), 1029 (m), 988 (w)

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/IR

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UV-VIS

269 (0.65), 214 (0.50), 201 (0.53)

DOI: 10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/UV-VIS


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