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3-(3-nitrophenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid
SpectraBase Compound ID 92XBP6uWS0P
InChI InChI=1S/C16H16N2O6S/c19-16(20)10-15(13-7-4-8-14(9-13)18(21)22)17-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,19,20)
InChIKey VLQJDYZLSCDHME-UHFFFAOYSA-N
Mol Weight 364.37 g/mol
Molecular Formula C16H16N2O6S
Exact Mass 364.072907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18r779Gensz
Name 3-(3-nitrophenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid
Alternate Name(s) 3-(benzylsulfonylamino)-3-(3-nitrophenyl)propanoic acid 3-(benzylsulfonylamino)-3-(3-nitrophenyl)propionic acid
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Formula C16H16N2O6S
InChI InChI=1S/C16H16N2O6S/c19-16(20)10-15(13-7-4-8-14(9-13)18(21)22)17-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,19,20)
InChIKey VLQJDYZLSCDHME-UHFFFAOYSA-N
Molecular Weight 364.372 g/mol
SMILES N(S(=O)(=O)Cc1ccccc1)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0006-9200000000-8209d6cfce8161728b0b
Wiley ID 1443669