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5-Methyl-2-(1-methylethyl)cyclohexyl ester of [1S-(1.alpha.(S*),2.beta.,5.alpha.)]-1-methyl-6-oxo-2,4-cyclohexadiene-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

5-Methyl-2-(1-methylethyl)cyclohexyl ester of [1S-(1.alpha.(S*),2.beta.,5.alpha.)]-1-methyl-6-oxo-2,4-cyclohexadiene-1-carboxylic acid
SpectraBase Compound ID 5gsABZRInHa
InChI InChI=1S/C18H26O3/c1-12(2)14-9-8-13(3)11-15(14)21-17(20)18(4)10-6-5-7-16(18)19/h5-7,10,12-15H,8-9,11H2,1-4H3/t13-,14+,15-,18+/m1/s1
InChIKey OIGCOYNPPFDMFG-FSZRXZPDSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkBrlx6fLWy
Name 5-Methyl-2-(1-methylethyl)cyclohexyl ester of [1S-(1.alpha.(S*),2.beta.,5.alpha.)]-1-methyl-6-oxo-2,4-cyclohexadiene-1-carboxylic acid
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (1S)-1-methyl-6-oxo-2,4-cyclohexadiene-1-carboxylate
CAS Registry Number 92269-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-12(2)14-9-8-13(3)11-15(14)21-17(20)18(4)10-6-5-7-16(18)19/h5-7,10,12-15H,8-9,11H2,1-4H3/t13-,14+,15-,18+/m1/s1
InChIKey OIGCOYNPPFDMFG-FSZRXZPDSA-N
Molecular Weight 290.403 g/mol
SMILES [C@]1(C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)(C(C=CC=C1)=O)C
SPLASH splash10-14ir-0900000000-5c72cb0cf77a21759835
Source of Spectrum J-49-4440-0
Wiley ID 1293885