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3-(benzylsulfonylamino)-3-(4-propoxyphenyl)propanoic acid
SpectraBase Compound ID LY90GTLhMR5
InChI InChI=1S/C19H23NO5S/c1-2-12-25-17-10-8-16(9-11-17)18(13-19(21)22)20-26(23,24)14-15-6-4-3-5-7-15/h3-11,18,20H,2,12-14H2,1H3,(H,21,22)
InChIKey ALLOXWGVTHBAKR-UHFFFAOYSA-N
Mol Weight 377.46 g/mol
Molecular Formula C19H23NO5S
Exact Mass 377.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtvGG8IexiY
Name 3-(benzylsulfonylamino)-3-(4-propoxyphenyl)propanoic acid
Alternate Name(s) 3-(benzylsulfonylamino)-3-(4-propoxyphenyl)propionic acid 3-[(phenylmethyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
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Formula C19H23NO5S
InChI InChI=1S/C19H23NO5S/c1-2-12-25-17-10-8-16(9-11-17)18(13-19(21)22)20-26(23,24)14-15-6-4-3-5-7-15/h3-11,18,20H,2,12-14H2,1H3,(H,21,22)
InChIKey ALLOXWGVTHBAKR-UHFFFAOYSA-N
Molecular Weight 377.455 g/mol
SMILES N(S(=O)(=O)Cc1ccccc1)C(CC(=O)O)c1ccc(cc1)OCCC
SPLASH splash10-0006-9410000000-190cf9cc8b3152b25ad3
Wiley ID 1444209