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Benzamide, 5-(butylthio)-2-nitro-N-(2-phenylethyl)-
SpectraBase Compound ID DvGgxOKthMR
InChI InChI=1S/C19H22N2O3S/c1-2-3-13-25-16-9-10-18(21(23)24)17(14-16)19(22)20-12-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,20,22)
InChIKey UCVPIJGGZVKOJY-UHFFFAOYSA-N
Mol Weight 358.46 g/mol
Molecular Formula C19H22N2O3S
Exact Mass 358.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXrcrG7dTox
Name Benzamide, 5-(butylthio)-2-nitro-N-(2-phenylethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O3S
InChI InChI=1S/C19H22N2O3S/c1-2-3-13-25-16-9-10-18(21(23)24)17(14-16)19(22)20-12-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,20,22)
InChIKey UCVPIJGGZVKOJY-UHFFFAOYSA-N
Molecular Weight 358.456 g/mol
SMILES N(C(c1c(ccc(SCCCC)c1)[N+]([O-])=O)=O)CCc1ccccc1
SPLASH splash10-0f80-3492000000-e98a21342f67d90ccc33
Source of Spectrum JX-2015-3-1244
Synonyms 5-(butylthio)-2-nitro-N-phenethylbenzamide 5-(butylsulfanyl)-2-nitro-N-(2-phenylethyl)benzamide 5-(butylthio)-2-nitro-N-(2-phenylethyl)benzamide 5-Butylsulfanyl-2-nitro-N-(2-phenylethyl)benzamide
Wiley ID 1724749