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4H-Thiopyran-2,3-dicarboxylic acid, 4,6-diphenyl-, dimethyl ester
SpectraBase Compound ID 335RlyzYKeM
InChI InChI=1S/C21H18O4S/c1-24-20(22)18-16(14-9-5-3-6-10-14)13-17(15-11-7-4-8-12-15)26-19(18)21(23)25-2/h3-13,16H,1-2H3
InChIKey NYTXXGZHMBMWTO-UHFFFAOYSA-N
Mol Weight 366.43 g/mol
Molecular Formula C21H18O4S
Exact Mass 366.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rfob1Q05PF
Name 4H-Thiopyran-2,3-dicarboxylic acid, 4,6-diphenyl-, dimethyl ester
CAS Registry Number 108672-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4S
InChI InChI=1S/C21H18O4S/c1-24-20(22)18-16(14-9-5-3-6-10-14)13-17(15-11-7-4-8-12-15)26-19(18)21(23)25-2/h3-13,16H,1-2H3
InChIKey NYTXXGZHMBMWTO-UHFFFAOYSA-N
Molecular Weight 366.431 g/mol
SMILES C1(=C(SC(=CC1c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0a4r-0039000000-ec00d4c25faba66cb2e3
Source of Spectrum AJ-59-2049-8
Synonyms 2,3-bis(methoxycarbonyl)-4,6-diphenyl-4H-thiin Dimethyl 4,6-diphenyl-4H-thiopyran-2,3-dicarboxylate
Wiley ID 1351979