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N-Methyl-2-nitro-N-phenylbenzenecarbothioamide
SpectraBase Compound ID 50WHYeoSUFi
InChI InChI=1S/C14H12N2O2S/c1-15(11-7-3-2-4-8-11)14(19)12-9-5-6-10-13(12)16(17)18/h2-10H,1H3
InChIKey JMYQKCKOETVUOK-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C14H12N2O2S
Exact Mass 272.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MjFPRdPhLK
Name N-Methyl-2-nitro-N-phenylbenzenecarbothioamide
Alternate Name(s) N-methyl-2-nitro-N-phenyl-thiobenzamide N-Methyl-N-phenyl-2-nitro-thiobenzamide
CAS Registry Number 70231-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c1-15(11-7-3-2-4-8-11)14(19)12-9-5-6-10-13(12)16(17)18/h2-10H,1H3
InChIKey JMYQKCKOETVUOK-UHFFFAOYSA-N
Molecular Weight 272.322 g/mol
SMILES CN(c1ccccc1)C(c1ccccc1N(=O)=O)=S
SPLASH splash10-00di-0590000000-5ef4cdf2363ffe1b31c4
Source of Spectrum O-18-163-1
Wiley ID 1275950