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benzenecarbothioamide, 4-nitro-N-phenyl-
SpectraBase Compound ID 6LDP4y7j1GW
InChI InChI=1S/C13H10N2O2S/c16-15(17)12-8-6-10(7-9-12)13(18)14-11-4-2-1-3-5-11/h1-9H,(H,14,18)
InChIKey SQYJDKLHHWSERM-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 2T7HbMid4CU
Name Benzenecarbothioamide, 4-nitro-N-phenyl-
Alternate Name(s) 4-Nitro-N-phenyl-benzenecarbothioamide 4-Nitro-N-phenyl-thiobenzamide
CAS Registry Number 6244-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O2S
InChI InChI=1S/C13H10N2O2S/c16-15(17)12-8-6-10(7-9-12)13(18)14-11-4-2-1-3-5-11/h1-9H,(H,14,18)
InChIKey SQYJDKLHHWSERM-UHFFFAOYSA-N
Molecular Weight 258.295 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1)=S)c1ccccc1
SPLASH splash10-0a6r-2960000000-3670a1a640678153873c
Source of Spectrum O-12-186-1
Wiley ID 1261483