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3-Nitrothiocarbanilide

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

3-Nitrothiocarbanilide
SpectraBase Compound ID 6WZoKC1gn0D
InChI InChI=1S/C13H11N3O2S/c17-16(18)12-8-4-7-11(9-12)15-13(19)14-10-5-2-1-3-6-10/h1-9H,(H2,14,15,19)
InChIKey NVMXWDIGHPOMQP-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C13H11N3O2S
Exact Mass 273.057198 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7gp1TN76EMF
Name 3-Nitrothiocarbanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.057197778 u
Formula C13H11N3O2S
InChI InChI=1S/C13H11N3O2S/c17-16(18)12-8-4-7-11(9-12)15-13(19)14-10-5-2-1-3-6-10/h1-9H,(H2,14,15,19)
InChIKey NVMXWDIGHPOMQP-UHFFFAOYSA-N
Molecular Weight 273.310 g/mol
SMILES N(C1=CC=CC=C1)C(=S)NC1=CC(=CC=C1)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.986323