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Benzoic acid, 2-amino-5-(butylthio)-
SpectraBase Compound ID 6AV3FydrrtR
InChI InChI=1S/C11H15NO2S/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKey HQFNTBFNDIPDEL-UHFFFAOYSA-N
Mol Weight 225.31 g/mol
Molecular Formula C11H15NO2S
Exact Mass 225.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHZ2CBVw14v
Name Benzoic acid, 2-amino-5-(butylthio)-
Alternate Name(s) 2-Amino-5-(butylthio)benzoic acid 2-Amino-5-(butylsulfanyl)benzoic acid 2-Amino-5-butylsulfanylbenzoic acid 2-Amino-5-butylsulfanyl-benzoic acid 2-Azanyl-5-butylsulfanyl-benzoic acid
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Formula C11H15NO2S
InChI InChI=1S/C11H15NO2S/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKey HQFNTBFNDIPDEL-UHFFFAOYSA-N
Molecular Weight 225.306 g/mol
SMILES Nc1c(C(O)=O)cc(cc1)SCCCC
SPLASH splash10-0fb9-4950000000-cbacb1ba2ced7dd1166d
Source of Spectrum JX-2015-0-672
Wiley ID 1720583