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Acetic acid, 2-(4-formyl-2-nitrophenylthio)-
SpectraBase Compound ID GdonXsW08kb
InChI InChI=1S/C9H7NO5S/c11-4-6-1-2-8(16-5-9(12)13)7(3-6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey LCYXQRNOZVMFFY-UHFFFAOYSA-N
Mol Weight 241.22 g/mol
Molecular Formula C9H7NO5S
Exact Mass 241.004493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2kCrLFSmF4
Name Acetic acid, 2-(4-formyl-2-nitrophenylthio)-
Alternate Name(s) 2-(4-formyl-2-nitro-phenyl)sulfanylacetic acid 2-(4-Methanoyl-2-nitro-phenyl)sulfanylethanoic acid 2-[(4-formyl-2-nitro-phenyl)thio]acetic acid [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid 2-[(4-formyl-2-nitrophenyl)thio]acetic acid
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Formula C9H7NO5S
InChI InChI=1S/C9H7NO5S/c11-4-6-1-2-8(16-5-9(12)13)7(3-6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey LCYXQRNOZVMFFY-UHFFFAOYSA-N
Molecular Weight 241.217 g/mol
SMILES OC(CSc1c(N(=O)=O)cc(C=O)cc1)=O
SPLASH splash10-015d-5910000000-ff414640e461cb00956d
Wiley ID 1455565