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Propanoic acid, 3-[(2-nitrophenyl)sulfinyl]-
SpectraBase Compound ID 9PTK61d9FPf
InChI InChI=1S/C9H9NO5S/c11-9(12)5-6-16(15)8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey DESANEVNTFEVGL-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C9H9NO5S
Exact Mass 243.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BE9tYKOl5WZ
Name Propanoic acid, 3-[(2-nitrophenyl)sulfinyl]-
Alternate Name(s) 3-((2-Nitrophenyl)sulfinyl)propanoic acid 3-[(2-Nitrophenyl)sulfinyl]propanoic acid 3-(2-Nitrophenyl)sulfinylpropanoic acid
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Formula C9H9NO5S
InChI InChI=1S/C9H9NO5S/c11-9(12)5-6-16(15)8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey DESANEVNTFEVGL-UHFFFAOYSA-N
Molecular Weight 243.233 g/mol
SMILES OC(=O)CCS(=O)c1ccccc1[N+]([O-])=O
SPLASH splash10-0kdi-9100000000-7e4eea6ba0ab63058de5
Source of Spectrum JX-2015-1-381
Wiley ID 1721216