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(E)-2-[(4-Methoxyphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
SpectraBase Compound ID 4of1UJ1g7tl
InChI InChI=1S/C29H27NO5S/c1-4-25(29(31)35-27-11-7-9-21-8-5-6-10-26(21)27)28(22-14-16-23(34-3)17-15-22)30-36(32,33)24-18-12-20(2)13-19-24/h4-19,28,30H,1-3H3/b25-4+
InChIKey BXDLDVUTEHLEGQ-PFKHKWDZSA-N
Mol Weight 501.6 g/mol
Molecular Formula C29H27NO5S
Exact Mass 501.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jc9TcYkTQiY
Name (E)-2-[(4-Methoxyphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
Alternate Name(s) 1-naphthyl (2E)-2-((4-methoxyphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenoate
Comments Less than 3 mono-isotopic peaks
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Formula C29H27NO5S
InChI InChI=1S/C29H27NO5S/c1-4-25(29(31)35-27-11-7-9-21-8-5-6-10-26(21)27)28(22-14-16-23(34-3)17-15-22)30-36(32,33)24-18-12-20(2)13-19-24/h4-19,28,30H,1-3H3/b25-4+
InChIKey BXDLDVUTEHLEGQ-PFKHKWDZSA-N
Molecular Weight 501.597 g/mol
SMILES N(C(\C(C(=O)Oc1cccc2ccccc12)=C/C)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-000i-0900000000-bd728d3602be9e4ca3ec
Source of Spectrum F-62-471-5
Wiley ID 1631862