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

*Links on SpectraBase are not permalinks.

L-2-Amino-3-(benzylthio)-4'-nitropropionanilide

View entire compound with spectra: 1 NMR, and 1 Raman

L-2-Amino-3-(benzylthio)-4'-nitropropionanilide
SpectraBase Compound ID ARMNw5WdQpg
InChI InChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)
InChIKey HOZQMLJHNCMSRC-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

Raman Spectrum

Raman Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID E0hyGyULmkK
Name L-2-Amino-3-(benzylthio)-4'-nitropropionanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.099062590 u
Formula C16H17N3O3S
InChI InChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)
InChIKey HOZQMLJHNCMSRC-UHFFFAOYSA-N
Molecular Weight 331.390 g/mol
SMILES C(=O)(NC=1C=CC(=CC1)N(=O)=O)C(N)CSCC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.821168