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Benzenepropanoic acid, .beta.-[[(4-carboxyphenyl)sulfonyl]amino]-4-ethoxy-3-methoxy-
SpectraBase Compound ID 8N1Eqf59jZP
InChI InChI=1S/C19H21NO8S/c1-3-28-16-9-6-13(10-17(16)27-2)15(11-18(21)22)20-29(25,26)14-7-4-12(5-8-14)19(23)24/h4-10,15,20H,3,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKey FNWPMSFWHSSKOE-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C19H21NO8S
Exact Mass 423.098788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDInguGYHu7
Name Benzenepropanoic acid, .beta.-[[(4-carboxyphenyl)sulfonyl]amino]-4-ethoxy-3-methoxy-
Alternate Name(s) 4-[[2-carboxy-1-(4-ethoxy-3-methoxyphenyl)ethyl]sulfamoyl]benzoic acid 4-[[1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanyl-3-oxidanylidene-propyl]sulfamoyl]benzoic acid
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Formula C19H21NO8S
InChI InChI=1S/C19H21NO8S/c1-3-28-16-9-6-13(10-17(16)27-2)15(11-18(21)22)20-29(25,26)14-7-4-12(5-8-14)19(23)24/h4-10,15,20H,3,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKey FNWPMSFWHSSKOE-UHFFFAOYSA-N
Molecular Weight 423.436 g/mol
SMILES OC(CC(c1cc(c(cc1)OCC)OC)NS(c1ccc(C(O)=O)cc1)(=O)=O)=O
SPLASH splash10-0itc-5922000000-52dda62a4591fefd62dc
Source of Spectrum IY-1-4470-6
Wiley ID 1652689