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3-Nitro-N-(phenylmethyl)benzenecarbothioamide
SpectraBase Compound ID 3QQwDMqN1IP
InChI InChI=1S/C14H12N2O2S/c17-16(18)13-8-4-7-12(9-13)14(19)15-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)
InChIKey YDTOIHIANCWDMJ-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 FV7burqHlkQ
Name 3-Nitro-N-(phenylmethyl)benzenecarbothioamide
Alternate Name(s) N-benzyl-3-nitro-benzenecarbothioamide N-Benzyl-3-nitro-thiobenzamide
CAS Registry Number 87866-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c17-16(18)13-8-4-7-12(9-13)14(19)15-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)
InChIKey YDTOIHIANCWDMJ-UHFFFAOYSA-N
Molecular Weight 272.322 g/mol
SMILES N(C(c1cc(N(=O)=O)ccc1)=S)Cc1ccccc1
SPLASH splash10-00di-0980000000-1aa6457362c52747bb78
Source of Spectrum O-18-163-1
Wiley ID 1275949