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(E)-2-[Phenyl(toluene-4-sulfonylamino)methyl]but-2-enoic acid phenyl ester
SpectraBase Compound ID FVhglnn9wL2
InChI InChI=1S/C24H23NO4S/c1-3-22(24(26)29-20-12-8-5-9-13-20)23(19-10-6-4-7-11-19)25-30(27,28)21-16-14-18(2)15-17-21/h3-17,23,25H,1-2H3/b22-3+
InChIKey HKECGVGSHJLVAJ-HEQWTUPCSA-N
Mol Weight 421.51 g/mol
Molecular Formula C24H23NO4S
Exact Mass 421.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqT6qUbL79I
Name (E)-2-[Phenyl(toluene-4-sulfonylamino)methyl]but-2-enoic acid phenyl ester
Alternate Name(s) phenyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(phenyl)methyl]-2-butenoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H23NO4S
InChI InChI=1S/C24H23NO4S/c1-3-22(24(26)29-20-12-8-5-9-13-20)23(19-10-6-4-7-11-19)25-30(27,28)21-16-14-18(2)15-17-21/h3-17,23,25H,1-2H3/b22-3+
InChIKey HKECGVGSHJLVAJ-HEQWTUPCSA-N
Molecular Weight 421.511 g/mol
SMILES N(C(\C(C(=O)Oc1ccccc1)=C/C)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-004i-0049000000-af82b1e90358ca84e6f3
Source of Spectrum F-62-468-4
Wiley ID 1631877