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1-Cyclohexene-1,4-dicarboxylic acid, 4-(2,2-diphenylethenyl)-3,3-diphenyl-, diethyl ester
SpectraBase Compound ID Es0HiXPtS7P
InChI InChI=1S/C38H36O4/c1-3-41-35(39)31-25-26-37(36(40)42-4-2,28-34(29-17-9-5-10-18-29)30-19-11-6-12-20-30)38(27-31,32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-24,27-28H,3-4,25-26H2,1-2H3
InChIKey VGWWZIHGYQIJJK-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C38H36O4
Exact Mass 556.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATjXEViAbUv
Name 1-Cyclohexene-1,4-dicarboxylic acid, 4-(2,2-diphenylethenyl)-3,3-diphenyl-, diethyl ester
CAS Registry Number 113002-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H36O4
InChI InChI=1S/C38H36O4/c1-3-41-35(39)31-25-26-37(36(40)42-4-2,28-34(29-17-9-5-10-18-29)30-19-11-6-12-20-30)38(27-31,32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-24,27-28H,3-4,25-26H2,1-2H3
InChIKey VGWWZIHGYQIJJK-UHFFFAOYSA-N
Molecular Weight 556.702 g/mol
SMILES C1(C(C=C(CC1)C(=O)OCC)(c1ccccc1)c1ccccc1)(C=C(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-0a4i-0091000000-d7ff7b301bc0a0eb56ae
Source of Spectrum H-70-1074-3
Synonyms Diethyl 3,3-diphenyl-4-(2,2-diphenylvinyl)cyclohex-1-ene-1,4-dicarboxylate Diethyl 4-(2,2-diphenylvinyl)-3,3-diphenyl-1-cyclohexene-1,4-dicarboxylate
Wiley ID 1406452