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4-Methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID DOXPoJWT7a3
InChI InChI=1S/C20H19NO6S/c1-13-9-11-15(12-10-13)28(24,25)21-17(14-7-5-4-6-8-14)16(20(23)27-3)18(26-2)19(21)22/h4-12,17H,1-3H3
InChIKey SHQDHNQTFZTQFW-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C20H19NO6S
Exact Mass 401.093309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HT3vB6uxlt8
Name 4-Methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO6S
InChI InChI=1S/C20H19NO6S/c1-13-9-11-15(12-10-13)28(24,25)21-17(14-7-5-4-6-8-14)16(20(23)27-3)18(26-2)19(21)22/h4-12,17H,1-3H3
InChIKey SHQDHNQTFZTQFW-UHFFFAOYSA-N
Molecular Weight 401.433 g/mol
SMILES c1(S(N2C(C(OC)=C(C2c2ccccc2)C(=O)OC)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0007-0079300000-43ed37908ad0f02df961
Source of Spectrum J-63-5040-12
Synonyms 5-keto-4-methoxy-2-phenyl-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Methyl 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-phenyl-2H-pyrrole-3-carboxylate Methyl 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate Methyl 4-methoxy-5-oxo-2-phenyl-1-(p-tolylsulfonyl)-2H-pyrrole-3-carboxylate
Wiley ID 1369930