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4H-Thiopyran-2,3-dicarboxylic acid, 4-(4-methylphenyl)-6-phenyl-, dimethyl ester
SpectraBase Compound ID EOsVbdAE6pj
InChI InChI=1S/C22H20O4S/c1-14-9-11-15(12-10-14)17-13-18(16-7-5-4-6-8-16)27-20(22(24)26-3)19(17)21(23)25-2/h4-13,17H,1-3H3
InChIKey PRHWOCBTRZOIIN-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C22H20O4S
Exact Mass 380.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jTYzkQorJL
Name 4H-Thiopyran-2,3-dicarboxylic acid, 4-(4-methylphenyl)-6-phenyl-, dimethyl ester
CAS Registry Number 108672-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O4S
InChI InChI=1S/C22H20O4S/c1-14-9-11-15(12-10-14)17-13-18(16-7-5-4-6-8-16)27-20(22(24)26-3)19(17)21(23)25-2/h4-13,17H,1-3H3
InChIKey PRHWOCBTRZOIIN-UHFFFAOYSA-N
Molecular Weight 380.458 g/mol
SMILES C1(=C(SC(=CC1c1ccc(cc1)C)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-00di-0029000000-2950ce73e115971b4a14
Source of Spectrum AJ-59-2049-8
Synonyms 2,3-bis(methoxycarbonyl)-6-phenyl-4-p-tolyl-4H-thiin Dimethyl 4-(4-methylphenyl)-6-phenyl-4H-thiopyran-2,3-dicarboxylate
Wiley ID 1359768