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3-(4-Methoxyphenyl)-4-[N,N-bis(p-toluenesulfonyl)imidyl]-2-butenoic acid
SpectraBase Compound ID CGqejB04zHO
InChI InChI=1S/C25H25NO7S2/c1-18-4-12-23(13-5-18)34(29,30)26(35(31,32)24-14-6-19(2)7-15-24)17-21(16-25(27)28)20-8-10-22(33-3)11-9-20/h4-16H,17H2,1-3H3,(H,27,28)/b21-16-
InChIKey DCKFMZRFYFRBGB-PGMHBOJBSA-N
Mol Weight 515.6 g/mol
Molecular Formula C25H25NO7S2
Exact Mass 515.107244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SwwNHaD9E
Name 3-(4-Methoxyphenyl)-4-[N,N-bis(p-toluenesulfonyl)imidyl]-2-butenoic acid
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Formula C25H25NO7S2
InChI InChI=1S/C25H25NO7S2/c1-18-4-12-23(13-5-18)34(29,30)26(35(31,32)24-14-6-19(2)7-15-24)17-21(16-25(27)28)20-8-10-22(33-3)11-9-20/h4-16H,17H2,1-3H3,(H,27,28)/b21-16-
InChIKey DCKFMZRFYFRBGB-PGMHBOJBSA-N
Literature Reference DOI 10.1021/ol5022433
Molecular Weight 515.595 g/mol
SMILES OC(\C=C/(c1ccc(cc1)OC)CN(S(c1ccc(cc1)C)(=O)=O)S(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-000x-3901000000-f303f79bc7c2e744acda
Source of Spectrum A1-16-4646/SMS30-9c_major
Synonyms (E)-3-(4-methoxyphenyl)-4-(4-methyl-N-tosylphenylsulfonamido)but-2-enoic acid
Wiley ID 1751248