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3-[(4-chlorophenyl)sulfonylamino]-3-(4-isopropoxyphenyl)propanoic acid
SpectraBase Compound ID AviF3iYhoSS
InChI InChI=1S/C18H20ClNO5S/c1-12(2)25-15-7-3-13(4-8-15)17(11-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)
InChIKey NVAZQEYBHWXTQU-UHFFFAOYSA-N
Mol Weight 397.87 g/mol
Molecular Formula C18H20ClNO5S
Exact Mass 397.075072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy3GtuOxkNi
Name 3-[(4-chlorophenyl)sulfonylamino]-3-(4-isopropoxyphenyl)propanoic acid
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Formula C18H20ClNO5S
InChI InChI=1S/C18H20ClNO5S/c1-12(2)25-15-7-3-13(4-8-15)17(11-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)
InChIKey NVAZQEYBHWXTQU-UHFFFAOYSA-N
Molecular Weight 397.873 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NS(=O)(=O)c1ccc(cc1)Cl)=O
SPLASH splash10-00kf-9710000000-4d1c6993df9269ca0584
Synonyms 3-[(4-chlorophenyl)sulfonylamino]-3-(4-isopropoxyphenyl)propionic acid 3-[(4-chlorophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1443930