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(E)-2-[(toluene-4-sulfonylamino)-p-tolylmethyl]penta-2,4-dienoic acid phenyl ester
SpectraBase Compound ID 8i2pACqwklB
InChI InChI=1S/C26H25NO4S/c1-4-8-24(26(28)31-22-9-6-5-7-10-22)25(21-15-11-19(2)12-16-21)27-32(29,30)23-17-13-20(3)14-18-23/h4-18,25,27H,1H2,2-3H3/b24-8+
InChIKey INXIGFOWDUGOOH-KTZMUZOWSA-N
Mol Weight 447.55 g/mol
Molecular Formula C26H25NO4S
Exact Mass 447.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID T1wtw7qmNA
Name (E)-2-[(toluene-4-sulfonylamino)-p-tolylmethyl]penta-2,4-dienoic acid phenyl ester
Alternate Name(s) phenyl (2E)-2-((4-methylphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2,4-pentadienoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H25NO4S
InChI InChI=1S/C26H25NO4S/c1-4-8-24(26(28)31-22-9-6-5-7-10-22)25(21-15-11-19(2)12-16-21)27-32(29,30)23-17-13-20(3)14-18-23/h4-18,25,27H,1H2,2-3H3/b24-8+
InChIKey INXIGFOWDUGOOH-KTZMUZOWSA-N
Molecular Weight 447.549 g/mol
SMILES N(C(\C(C(=O)Oc1ccccc1)=C/C=C)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9001000000-dfd455ed00494706732b
Source of Spectrum F-62-474-8
Wiley ID 1631846