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1-Cyclohexene-1-carboxylic acid, 3,5,5-tris(4-methoxyphenyl)-3-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID 9TcNDHez1Jh
InChI InChI=1S/C31H32O6/c1-6-37-28(32)21-19-30(2,22-7-13-25(34-3)14-8-22)29(33)31(20-21,23-9-15-26(35-4)16-10-23)24-11-17-27(36-5)18-12-24/h7-19H,6,20H2,1-5H3
InChIKey BEZSVYAYKPOHDY-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C31H32O6
Exact Mass 500.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqE7RpZKjWk
Name 1-Cyclohexene-1-carboxylic acid, 3,5,5-tris(4-methoxyphenyl)-3-methyl-4-oxo-, ethyl ester
CAS Registry Number 116059-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32O6
InChI InChI=1S/C31H32O6/c1-6-37-28(32)21-19-30(2,22-7-13-25(34-3)14-8-22)29(33)31(20-21,23-9-15-26(35-4)16-10-23)24-11-17-27(36-5)18-12-24/h7-19H,6,20H2,1-5H3
InChIKey BEZSVYAYKPOHDY-UHFFFAOYSA-N
Molecular Weight 500.591 g/mol
SMILES C1(C(CC(=CC1(c1ccc(cc1)OC)C)C(=O)OCC)(c1ccc(cc1)OC)c1ccc(cc1)OC)=O
SPLASH splash10-0umi-0090620000-666be0053a462caf7674
Source of Spectrum KC-1987-2693-19
Synonyms Ethyl 3,5,5-tris(4-methoxyphenyl)-3-methyl-4-oxo-1-cyclohexene-1-carboxylate Ethyl 3,5,5-tris(p-methoxyphenyl)-3-methyl-4-oxocyclohex-1-enecarboxylate
Wiley ID 1398922