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3-Methyl-6-(p-methoxyphenyl)-4-phenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic anhydride
SpectraBase Compound ID 3C4xJYJTGsc
InChI InChI=1S/C21H18O4S/c1-21-16(13-6-4-3-5-7-13)12-17(14-8-10-15(24-2)11-9-14)26-18(21)19(22)25-20(21)23/h3-12,16,18H,1-2H3
InChIKey CKIGREVRMQJGNV-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 2zqgVHoxntf
Name 3-Methyl-6-(p-methoxyphenyl)-4-phenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic anhydride
Alternate Name(s) 2-(4-methoxyphenyl)-4a-methyl-4-phenyl-4a,7a-dihydro-4H-thiino[2,3-c]furan-5,7-dione
CAS Registry Number 71436-20-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4S
InChI InChI=1S/C21H18O4S/c1-21-16(13-6-4-3-5-7-13)12-17(14-8-10-15(24-2)11-9-14)26-18(21)19(22)25-20(21)23/h3-12,16,18H,1-2H3
InChIKey CKIGREVRMQJGNV-UHFFFAOYSA-N
Molecular Weight 366.431 g/mol
SMILES C12(C(SC(=CC2c2ccccc2)c2ccc(cc2)OC)C(=O)OC1=O)C
SPLASH splash10-0udi-0090000000-3bf96c2a16822976b4f7
Source of Spectrum J-44-4155-0
Wiley ID 1351977