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1-(4-Methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID 1YYa1NftPX9
InChI InChI=1S/C27H23NO4S/c1-20-13-17-24(18-14-20)33(30,31)28-25(27(29)32-2)19-23(16-15-21-9-5-3-6-10-21)26(28)22-11-7-4-8-12-22/h3-14,17-18,25H,19H2,1-2H3
InChIKey FIIUZSCKUBSNIT-UHFFFAOYSA-N
Mol Weight 457.54 g/mol
Molecular Formula C27H23NO4S
Exact Mass 457.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3xmzYotIBH
Name 1-(4-Methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylic acid methyl ester
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Formula C27H23NO4S
InChI InChI=1S/C27H23NO4S/c1-20-13-17-24(18-14-20)33(30,31)28-25(27(29)32-2)19-23(16-15-21-9-5-3-6-10-21)26(28)22-11-7-4-8-12-22/h3-14,17-18,25H,19H2,1-2H3
InChIKey FIIUZSCKUBSNIT-UHFFFAOYSA-N
Molecular Weight 457.544 g/mol
SMILES c1(S(N2C(CC(=C2c2ccccc2)C#Cc2ccccc2)C(=O)OC)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-5094100000-7b1dd5afce7cf2245f57
Source of Spectrum K-2002-627-29
Synonyms 5-Phenyl-4-(2-phenylethynyl)-1-tosyl-2-pyrroline-2-carboxylic acid methyl ester Methyl 1-(4-methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylate Methyl 5-phenyl-4-(2-phenylethynyl)-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-2-carboxylate
Wiley ID 1580898