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3-(benzenesulfonamido)-3-(4-isopropoxyphenyl)propanoic acid
SpectraBase Compound ID BKHbt1yrQXE
InChI InChI=1S/C18H21NO5S/c1-13(2)24-15-10-8-14(9-11-15)17(12-18(20)21)19-25(22,23)16-6-4-3-5-7-16/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)
InChIKey WDLNFWDZMXZPLQ-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C18H21NO5S
Exact Mass 363.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIqniiA5zTN
Name 3-(benzenesulfonamido)-3-(4-isopropoxyphenyl)propanoic acid
Alternate Name(s) 3-(benzenesulfonamido)-3-(4-isopropoxyphenyl)propionic acid 3-(benzenesulfonamido)-3-(4-propan-2-yloxyphenyl)propanoic acid 3-(Phenylsulfonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
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Formula C18H21NO5S
InChI InChI=1S/C18H21NO5S/c1-13(2)24-15-10-8-14(9-11-15)17(12-18(20)21)19-25(22,23)16-6-4-3-5-7-16/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)
InChIKey WDLNFWDZMXZPLQ-UHFFFAOYSA-N
Molecular Weight 363.428 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NS(=O)(=O)c1ccccc1)=O
SPLASH splash10-0ffx-9521000000-c9467bd731d27464d648
Wiley ID 1444217