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(E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid phenyl ester
SpectraBase Compound ID LtcIM4nHdac
InChI InChI=1S/C25H25NO4S/c1-4-23(25(27)30-21-8-6-5-7-9-21)24(20-14-10-18(2)11-15-20)26-31(28,29)22-16-12-19(3)13-17-22/h4-17,24,26H,1-3H3/b23-4+
InChIKey ALWBKALKWLAUMT-QFSHWATDSA-N
Mol Weight 435.54 g/mol
Molecular Formula C25H25NO4S
Exact Mass 435.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 290JUfejJNV
Name (E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid phenyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H25NO4S
InChI InChI=1S/C25H25NO4S/c1-4-23(25(27)30-21-8-6-5-7-9-21)24(20-14-10-18(2)11-15-20)26-31(28,29)22-16-12-19(3)13-17-22/h4-17,24,26H,1-3H3/b23-4+
InChIKey ALWBKALKWLAUMT-QFSHWATDSA-N
Molecular Weight 435.538 g/mol
SMILES N(C(\C(C(=O)Oc1ccccc1)=C/C)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00dl-0905000000-d87b39703cae8dbe4161
Source of Spectrum F-62-469-4
Synonyms phenyl (2E)-2-((4-methylphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenoate
Wiley ID 1631871