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aS, N-(1S),alphaS(-)-(alpha-methylbenzyl)carbamic acid, ester with 2-chloro-6'-ethyl-N-(2-hydroxy-1-methylethyl)-o-acetotoluidide

View entire compound with spectra: 2 NMR, and 1 FTIR

aS, N-(1S),alphaS(-)-(alpha-methylbenzyl)carbamic acid, ester with 2-chloro-6'-ethyl-N-(2-hydroxy-1-methylethyl)-o-acetotoluidide
SpectraBase Compound ID LKeIWDKucYc
InChI InChI=1S/C23H29ClN2O3/c1-5-19-13-9-10-16(2)22(19)26(21(27)14-24)17(3)15-29-23(28)25-18(4)20-11-7-6-8-12-20/h6-13,17-18H,5,14-15H2,1-4H3,(H,25,28)/t17-,18-/m0/s1
InChIKey GLWWABVCLLBEGM-ROUUACIJSA-N
Mol Weight 416.95 g/mol
Molecular Formula C23H29ClN2O3
Exact Mass 416.18667 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5B26HABQaUR
Name aS, N-(1S),alphaS(-)-(alpha-METHYLBENZYL)CARBAMIC ACID, ESTER WITH 2-CHLORO-6'-ETHYL-N-(2-HYDROXY-1-METHYLETHYL)-o-ACETOTOLUIDIDE
Source of Sample H. MOSER, CIBA-GEIGY AG, BASEL, SWITZERLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29ClN2O3
InChI InChI=1S/C23H29ClN2O3/c1-5-19-13-9-10-16(2)22(19)26(21(27)14-24)17(3)15-29-23(28)25-18(4)20-11-7-6-8-12-20/h6-13,17-18H,5,14-15H2,1-4H3,(H,25,28)/t17-,18-/m0/s1
InChIKey GLWWABVCLLBEGM-ROUUACIJSA-N
Literature Reference Z. NATURFORSCH. B 37, 451(1982) Abstract-Chemical Abstracts= 97, 71671(1982)
Melting Point 129-131C
Molecular Weight 416.946014
Optical Properties Optical Rotation= (20C) -38 +/- 1 DEG (c=2.54%, BENZENE)
Synonyms CARBAMIC ACID, /A-METHYLBENZYL/-, ESTER WITH 2-CHLORO-6*-ETHYL- N-/2-HYDROXY-1-METHYLETHYL/-O-ACETO- TOLUIDIDE, AS,N-/1S/,AS/MINUS/-,
Technique KBr WAFER