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Cyclohexanecarboxylic acid, 1,3-dimethyl-2-[2-[3-(1-methylethyl)phenyl]ethyl]-, methyl ester, (1.alpha.,2.alpha.,3.alpha.)-
SpectraBase Compound ID 6RSMUQjxwBO
InChI InChI=1S/C21H32O2/c1-15(2)18-10-6-9-17(14-18)11-12-19-16(3)8-7-13-21(19,4)20(22)23-5/h6,9-10,14-16,19H,7-8,11-13H2,1-5H3
InChIKey RYOHDILQHQYGGA-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yQNXLRrumy
Name Cyclohexanecarboxylic acid, 1,3-dimethyl-2-[2-[3-(1-methylethyl)phenyl]ethyl]-, methyl ester, (1.alpha.,2.alpha.,3.alpha.)-
CAS Registry Number 41298-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-15(2)18-10-6-9-17(14-18)11-12-19-16(3)8-7-13-21(19,4)20(22)23-5/h6,9-10,14-16,19H,7-8,11-13H2,1-5H3
InChIKey RYOHDILQHQYGGA-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES CC1CCCC(C)(C1CCc1cccc(c1)C(C)C)C(=O)OC
SPLASH splash10-000t-2900000000-aaeb77bc6f03752bbf14
Source of Spectrum Va-0-0-0
Synonyms 1,3-Dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]-1-cyclohexanecarboxylic acid methyl ester Methyl 2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethylcyclohexanecarboxylate 2-(2-m-cumenylethyl)-1,3-dimethyl-cyclohexanecarboxylic acid methyl ester Methyl 1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate Methyl 2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethyl-cyclohexanecarboxylate
Wiley ID 739209