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Cyclohexanenonanoic acid, .beta.,.zeta.,2,2,6-pentamethyl-, methyl ester
SpectraBase Compound ID I9muXE1yJMr
InChI InChI=1S/C21H40O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h16-19H,7-15H2,1-6H3
InChIKey CRKRNHXIIKDHOD-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ROOvxhaKM2
Name Cyclohexanenonanoic acid, .beta.,.zeta.,2,2,6-pentamethyl-, methyl ester
CAS Registry Number 55786-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h16-19H,7-15H2,1-6H3
InChIKey CRKRNHXIIKDHOD-UHFFFAOYSA-N
Molecular Weight 324.549 g/mol
SMILES C1(C(CCCC1C)(C)C)CCC(CCCC(CC(=O)OC)C)C
SPLASH splash10-066r-9200000000-7c9760845acca061923c
Source of Spectrum AH-106-207-6
Synonyms Methyl ester of 9-(2',2',6'-trimethyl-cyclohexyl)-3,7-dimethylnonanocarboxylic acid O(15)-methyl-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
Wiley ID 1323648