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(E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
SpectraBase Compound ID IjJjqzKVRTZ
InChI InChI=1S/C29H27NO4S/c1-4-25(29(31)34-27-11-7-9-22-8-5-6-10-26(22)27)28(23-16-12-20(2)13-17-23)30-35(32,33)24-18-14-21(3)15-19-24/h4-19,28,30H,1-3H3/b25-4+
InChIKey RQFKBKPEEFPFGC-PFKHKWDZSA-N
Mol Weight 485.6 g/mol
Molecular Formula C29H27NO4S
Exact Mass 485.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZJuGOB4toB
Name (E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
Comments Less than 3 mono-isotopic peaks
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Formula C29H27NO4S
InChI InChI=1S/C29H27NO4S/c1-4-25(29(31)34-27-11-7-9-22-8-5-6-10-26(22)27)28(23-16-12-20(2)13-17-23)30-35(32,33)24-18-14-21(3)15-19-24/h4-19,28,30H,1-3H3/b25-4+
InChIKey RQFKBKPEEFPFGC-PFKHKWDZSA-N
Molecular Weight 485.598 g/mol
SMILES N(C(\C(C(=O)Oc1cccc2ccccc12)=C/C)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00di-0900000000-780768dcc336f3f80361
Source of Spectrum F-62-471-5
Synonyms 1-naphthyl (2E)-2-((4-methylphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenoate
Wiley ID 1631863