John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IPXA75eoemP SpectraBase Spectrum ID=1L3EjQrl6t8

(accessed ).
L-3-(benzylthio)alanine, benzyl ester, hydrochloride
SpectraBase Compound ID IPXA75eoemP
InChI InChI=1S/C17H19NO2S.ClH/c18-16(13-21-12-15-9-5-2-6-10-15)17(19)20-11-14-7-3-1-4-8-14;/h1-10,16H,11-13,18H2;1H
InChIKey SKFOKVOZXZYMAU-UHFFFAOYSA-N
Mol Weight 337.87 g/mol
Molecular Formula C17H20ClNO2S
Exact Mass 337.090329 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1L3EjQrl6t8
Name L-3-(benzylthio)alanine, benzyl ester, hydrochloride
Source of Sample R. Patel, Monsanto Research Corporation, Everett, Massachusetts
Copyright Copyright © 2009-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClNO2S
InChI InChI=1S/C17H19NO2S.ClH/c18-16(13-21-12-15-9-5-2-6-10-15)17(19)20-11-14-7-3-1-4-8-14;/h1-10,16H,11-13,18H2;1H
InChIKey SKFOKVOZXZYMAU-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 658M
Solvent TFA
SpectraBase Batch ID AEM0RGYmC8A