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(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
SpectraBase Compound ID 3FOtZnuutPP
InChI InChI=1S/C28H24N2O6S/c1-3-24(28(31)36-26-13-7-9-20-8-4-5-12-25(20)26)27(21-10-6-11-22(18-21)30(32)33)29-37(34,35)23-16-14-19(2)15-17-23/h3-18,27,29H,1-2H3/b24-3+
InChIKey DZSPIDDYUFTYDS-QHVLENNUSA-N
Mol Weight 516.57 g/mol
Molecular Formula C28H24N2O6S
Exact Mass 516.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIioKuNRwyM
Name (E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
Comments Less than 3 mono-isotopic peaks
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Formula C28H24N2O6S
InChI InChI=1S/C28H24N2O6S/c1-3-24(28(31)36-26-13-7-9-20-8-4-5-12-25(20)26)27(21-10-6-11-22(18-21)30(32)33)29-37(34,35)23-16-14-19(2)15-17-23/h3-18,27,29H,1-2H3/b24-3+
InChIKey DZSPIDDYUFTYDS-QHVLENNUSA-N
Molecular Weight 516.568 g/mol
SMILES N(C(\C(C(=O)Oc1cccc2ccccc12)=C/C)c1cc(ccc1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-0900000000-39e9783f5e88c291edea
Source of Spectrum F-62-471-5
Synonyms 1-naphthyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(3-nitrophenyl)methyl]-2-butenoate
Wiley ID 1631864