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Benzenecarbothioamide, N-butyl-N-methyl-2-nitro-
SpectraBase Compound ID Gtoff0Cb9c9
InChI InChI=1S/C12H16N2O2S/c1-3-4-9-13(2)12(17)10-7-5-6-8-11(10)14(15)16/h5-8H,3-4,9H2,1-2H3
InChIKey DJPNGSQUOCOCMZ-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TwhIIM0RHs
Name Benzenecarbothioamide, N-butyl-N-methyl-2-nitro-
CAS Registry Number 70231-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-3-4-9-13(2)12(17)10-7-5-6-8-11(10)14(15)16/h5-8H,3-4,9H2,1-2H3
InChIKey DJPNGSQUOCOCMZ-UHFFFAOYSA-N
Molecular Weight 252.332 g/mol
SMILES c1(C(=S)N(CCCC)C)c(N(=O)=O)cccc1
SPLASH splash10-0fba-6930000000-82482ee00baad2912e90
Source of Spectrum O-15-641-1
Synonyms N-(n-butyl)N-methyl 2-nitrothiobenzamide N-butyl-N-methyl-2-nitrobenzenecarbothioamide n-Butyl-N-methyl-2-nitrothiobenzamide
Wiley ID 1255205