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3-Nitro-N-phenyl-benzenecarbothioamide
SpectraBase Compound ID FnvKri1bAaW
InChI InChI=1S/C13H10N2O2S/c16-15(17)12-8-4-5-10(9-12)13(18)14-11-6-2-1-3-7-11/h1-9H,(H,14,18)
InChIKey GRDWIMFKQOJJNQ-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C13H10N2O2S
Exact Mass 258.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ojfWv8kTN7
Name 3-Nitro-N-phenyl-benzenecarbothioamide
CAS Registry Number 87866-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O2S
InChI InChI=1S/C13H10N2O2S/c16-15(17)12-8-4-5-10(9-12)13(18)14-11-6-2-1-3-7-11/h1-9H,(H,14,18)
InChIKey GRDWIMFKQOJJNQ-UHFFFAOYSA-N
Molecular Weight 258.295 g/mol
SMILES N(C(c1cc(N(=O)=O)ccc1)=S)c1ccccc1
SPLASH splash10-0ab9-0970000000-24c78b7159173f4530ec
Source of Spectrum O-18-163-1
Synonyms 3-Nitro-N-phenyl-thiobenzamide
Wiley ID 1261488