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Benzoic acid, 5-(butylthio)-2-nitro-

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 5-(butylthio)-2-nitro-
SpectraBase Compound ID HaQJ6pnjf9R
InChI InChI=1S/C11H13NO4S/c1-2-3-6-17-8-4-5-10(12(15)16)9(7-8)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey YIIDOTSDXDFVJW-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C11H13NO4S
Exact Mass 255.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tZFsxwEuD3
Name Benzoic acid, 5-(butylthio)-2-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4S
InChI InChI=1S/C11H13NO4S/c1-2-3-6-17-8-4-5-10(12(15)16)9(7-8)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey YIIDOTSDXDFVJW-UHFFFAOYSA-N
Molecular Weight 255.288 g/mol
SMILES OC(c1c(ccc(SCCCC)c1)[N+]([O-])=O)=O
SPLASH splash10-0a4i-9420000000-05509e28066d8a94f10a
Source of Spectrum JX-2015-1-883
Synonyms 5-(Butylthio)-2-nitrobenzoic acid 5-(Butylsulfanyl)-2-nitrobenzoic acid 5-Butylsulfanyl-2-nitrobenzoic acid 5-Butylsulfanyl-2-nitro-benzoic acid
Wiley ID 1721654