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(E)-2-[(4-Fluorophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester
SpectraBase Compound ID 3JEhLlTOPcb
InChI InChI=1S/C25H22FNO4S/c1-3-7-23(25(28)31-21-8-5-4-6-9-21)24(19-12-14-20(26)15-13-19)27-32(29,30)22-16-10-18(2)11-17-22/h3-17,24,27H,1H2,2H3/b23-7+
InChIKey XLWWPKYCGCKUNC-HCGXMYGOSA-N
Mol Weight 451.51 g/mol
Molecular Formula C25H22FNO4S
Exact Mass 451.125358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yTjXiV9zLl
Name (E)-2-[(4-Fluorophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H22FNO4S
InChI InChI=1S/C25H22FNO4S/c1-3-7-23(25(28)31-21-8-5-4-6-9-21)24(19-12-14-20(26)15-13-19)27-32(29,30)22-16-10-18(2)11-17-22/h3-17,24,27H,1H2,2H3/b23-7+
InChIKey XLWWPKYCGCKUNC-HCGXMYGOSA-N
Molecular Weight 451.512 g/mol
SMILES N(C(\C(C(=O)Oc1ccccc1)=C/C=C)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9000000000-57c7670a309a8a4fe8a5
Source of Spectrum F-62-473-8
Synonyms phenyl (2E)-2-((4-fluorophenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2,4-pentadienoate
Wiley ID 1631851