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N-(3-Nitrophenylmethylene)-2-methylthiobenzanamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(3-Nitrophenylmethylene)-2-methylthiobenzanamine
SpectraBase Compound ID C83GSbuqZBZ
InChI InChI=1S/C14H12N2O2S/c1-19-14-8-3-2-7-13(14)15-10-11-5-4-6-12(9-11)16(17)18/h2-10H,1H3/b15-10+
InChIKey CUHZZGZQXQTKLW-XNTDXEJSSA-N
Mol Weight 272.32 g/mol
Molecular Formula C14H12N2O2S
Exact Mass 272.061949 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2olSNT1nFDp
Name N-(3-Nitrophenylmethylene)-2-methylthiobenzanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.061948806 u
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c1-19-14-8-3-2-7-13(14)15-10-11-5-4-6-12(9-11)16(17)18/h2-10H,1H3/b15-10+
InChIKey CUHZZGZQXQTKLW-XNTDXEJSSA-N
SMILES C=1(N(=O)=O)C=C(\C=N\C2=C(SC)C=CC=C2)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904159