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Benzenecarbothioamide, N-butyl-N-ethyl-2-nitro-
SpectraBase Compound ID 5DXzAbTQqmI
InChI InChI=1S/C13H18N2O2S/c1-3-5-10-14(4-2)13(18)11-8-6-7-9-12(11)15(16)17/h6-9H,3-5,10H2,1-2H3
InChIKey XXQYXKUBORSFKG-UHFFFAOYSA-N
Mol Weight 266.36 g/mol
Molecular Formula C13H18N2O2S
Exact Mass 266.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzgcFS5sKW7
Name Benzenecarbothioamide, N-butyl-N-ethyl-2-nitro-
Alternate Name(s) N-(n-butyl)-N-ethyl-2-nitrothiobenzamide N-butyl-N-ethyl-2-nitrobenzenecarbothioamide n-Butyl-N-ethyl-2-nitrothiobenzamide
CAS Registry Number 70231-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O2S
InChI InChI=1S/C13H18N2O2S/c1-3-5-10-14(4-2)13(18)11-8-6-7-9-12(11)15(16)17/h6-9H,3-5,10H2,1-2H3
InChIKey XXQYXKUBORSFKG-UHFFFAOYSA-N
Molecular Weight 266.359 g/mol
SMILES c1(C(=S)N(CC)CCCC)c(N(=O)=O)cccc1
SPLASH splash10-02t9-0940000000-b25533897e0a84c66c84
Source of Spectrum O-15-641-1
Wiley ID 1269710