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1-Cyclohexene-1,4-dicarboxylic acid, 4-(2,2-diphenylethenyl)-3,3-diphenyl-, dimethyl ester
SpectraBase Compound ID 9sUcm4jH3kQ
InChI InChI=1S/C36H32O4/c1-39-33(37)29-23-24-35(34(38)40-2,26-32(27-15-7-3-8-16-27)28-17-9-4-10-18-28)36(25-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,25-26H,23-24H2,1-2H3
InChIKey QLMDLVXYKAWBTA-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C36H32O4
Exact Mass 528.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7U5JOI4mNYS
Name 1-Cyclohexene-1,4-dicarboxylic acid, 4-(2,2-diphenylethenyl)-3,3-diphenyl-, dimethyl ester
CAS Registry Number 113002-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H32O4
InChI InChI=1S/C36H32O4/c1-39-33(37)29-23-24-35(34(38)40-2,26-32(27-15-7-3-8-16-27)28-17-9-4-10-18-28)36(25-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,25-26H,23-24H2,1-2H3
InChIKey QLMDLVXYKAWBTA-UHFFFAOYSA-N
Molecular Weight 528.648 g/mol
SMILES C1(C(C=C(CC1)C(=O)OC)(c1ccccc1)c1ccccc1)(C=C(c1ccccc1)c1ccccc1)C(=O)OC
SPLASH splash10-0bt9-0191410000-662c335fa569ce72343d
Source of Spectrum H-70-1074-3
Synonyms Dimethyl 3,3-diphenyl-4-(2,2-diphenylvinyl)cyclohex-1-ene-1,4-dicarboxylate Dimethyl 4-(2,2-diphenylvinyl)-3,3-diphenyl-1-cyclohexene-1,4-dicarboxylate
Wiley ID 1403158