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(2E)-2-(3-phenyl-2-tosyl-1,3-dihydroisoquinolin-4-ylidene)acetic acid methyl ester
SpectraBase Compound ID 7KCb5tEroLa
InChI InChI=1S/C25H23NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-16,25H,17H2,1-2H3/b23-16+
InChIKey PAMCIMWUMCOUNR-XQNSMLJCSA-N
Mol Weight 433.52 g/mol
Molecular Formula C25H23NO4S
Exact Mass 433.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GswPgl09xrN
Name (2E)-2-(3-phenyl-2-tosyl-1,3-dihydroisoquinolin-4-ylidene)acetic acid methyl ester
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Formula C25H23NO4S
InChI InChI=1S/C25H23NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-16,25H,17H2,1-2H3/b23-16+
InChIKey PAMCIMWUMCOUNR-XQNSMLJCSA-N
Molecular Weight 433.522 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)Cc2c(\C1=C\C(=O)OC)cccc2)c1ccccc1
SPLASH splash10-016u-4290000000-0917dc9d655591ab70a0
Source of Spectrum F-50-10977-5
Synonyms (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester Methyl (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]acetate Methyl (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]ethanoate Methyl (2E)-2-[3-phenyl-2-(p-tolylsulfonyl)-1,3-dihydroisoquinolin-4-ylidene]acetate
Wiley ID 789303