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

*Links on SpectraBase are not permalinks.

3-[(o-Acetylanilino)methyl]-2-thiohydantoin

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

3-[(o-Acetylanilino)methyl]-2-thiohydantoin
SpectraBase Compound ID K5OEwPDenrt
InChI InChI=1S/C12H13N3O2S/c1-8(16)9-4-2-3-5-10(9)14-7-15-11(17)6-13-12(15)18/h2-5,14H,6-7H2,1H3,(H,13,18)
InChIKey GLEXPBHELXFTGA-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CUr9iGeDaZn
Name 3-[(o-Acetylanilino)methyl]-2-thiohydantoin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.072847843 u
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-8(16)9-4-2-3-5-10(9)14-7-15-11(17)6-13-12(15)18/h2-5,14H,6-7H2,1H3,(H,13,18)
InChIKey GLEXPBHELXFTGA-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES N(C1=CC=CC=C1C(=O)C)CN1C(CNC1=S)=O
Spectrum/Structure Validation Score (Raman) 0.758183