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Benzenecarbothioamide, N-butyl-2-nitro-
SpectraBase Compound ID HkPA8UEpXtl
InChI InChI=1S/C11H14N2O2S/c1-2-3-8-12-11(16)9-6-4-5-7-10(9)13(14)15/h4-7H,2-3,8H2,1H3,(H,12,16)
InChIKey OMQOOJYVUVESPW-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C11H14N2O2S
Exact Mass 238.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FOsMYG7FBQ
Name Benzenecarbothioamide, N-butyl-2-nitro-
CAS Registry Number 87866-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O2S
InChI InChI=1S/C11H14N2O2S/c1-2-3-8-12-11(16)9-6-4-5-7-10(9)13(14)15/h4-7H,2-3,8H2,1H3,(H,12,16)
InChIKey OMQOOJYVUVESPW-UHFFFAOYSA-N
Molecular Weight 238.305 g/mol
SMILES N(C(c1c(N(=O)=O)cccc1)=S)CCCC
SPLASH splash10-000x-0900000000-7ab0b40f5a067ae03905
Source of Spectrum O-18-163-1
Synonyms N-(n-butyl)-2-nitrobenzenecarbothioamide n-Butyl-2-nitro-thiobenzamide N-butyl-2-nitrobenzenecarbothioamide
Wiley ID 1240142