For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(Cyanomethyl)-N-[(2'-nitrophenyl)thio]-phenylalanine - Methyl ester
SpectraBase Compound ID KEKhbB76Ml
InChI InChI=1S/C18H17N3O4S/c1-25-18(22)16(13-14-7-3-2-4-8-14)20(12-11-19)26-17-10-6-5-9-15(17)21(23)24/h2-10,16H,12-13H2,1H3
InChIKey FOUCFANNLJQKSR-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C18H17N3O4S
Exact Mass 371.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 29B7TqBiVJb
Name N-(Cyanomethyl)-N-[(2'-nitrophenyl)thio]-phenylalanine - Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4S
InChI InChI=1S/C18H17N3O4S/c1-25-18(22)16(13-14-7-3-2-4-8-14)20(12-11-19)26-17-10-6-5-9-15(17)21(23)24/h2-10,16H,12-13H2,1H3
InChIKey FOUCFANNLJQKSR-UHFFFAOYSA-N
Molecular Weight 371.411 g/mol
SMILES c1(N(=O)=O)c(SN(C(C(=O)OC)Cc2ccccc2)CC#N)cccc1
SPLASH splash10-0f6w-9510000000-9fb2262b69ed7af4f5dd
Source of Spectrum H-87-1314-10
Synonyms Methyl 2-{(cyanomethyl)[(2-nitrophenyl)sulfanyl]amino}-3-phenylpropanoate
Wiley ID 1563783