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(E)-2-[(4-Bromophenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
SpectraBase Compound ID 8MBxvcQu4Cu
InChI InChI=1S/C28H24BrNO4S/c1-3-24(28(31)34-26-10-6-8-20-7-4-5-9-25(20)26)27(21-13-15-22(29)16-14-21)30-35(32,33)23-17-11-19(2)12-18-23/h3-18,27,30H,1-2H3/b24-3+
InChIKey RPKNYBAKAHMKTQ-QHVLENNUSA-N
Mol Weight 550.47 g/mol
Molecular Formula C28H24BrNO4S
Exact Mass 549.060942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dg8vZwo0gD
Name (E)-2-[(4-Bromophenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid naphthalen-1-yl ester
Alternate Name(s) 1-naphthyl (2E)-2-((4-bromophenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H24BrNO4S
InChI InChI=1S/C28H24BrNO4S/c1-3-24(28(31)34-26-10-6-8-20-7-4-5-9-25(20)26)27(21-13-15-22(29)16-14-21)30-35(32,33)23-17-11-19(2)12-18-23/h3-18,27,30H,1-2H3/b24-3+
InChIKey RPKNYBAKAHMKTQ-QHVLENNUSA-N
Molecular Weight 550.467 g/mol
SMILES N(C(\C(C(=O)Oc1cccc2ccccc12)=C/C)c1ccc(cc1)Br)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-0900000000-e437ad91701fdaa868fa
Source of Spectrum F-62-470-5
Wiley ID 1631866