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1,2-Cyclohexanediol, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, 2-acetate, (1.alpha.,2.beta.,4Z)-(.+-.)-
SpectraBase Compound ID JWqxny0lU51
InChI InChI=1S/C17H28O3/c1-12(2)7-6-8-13(3)15-9-10-17(5,19)16(11-15)20-14(4)18/h7,16,19H,6,8-11H2,1-5H3/b15-13-/t16-,17-/m0/s1
InChIKey MXPVLSGVXWESJF-CUMWXBBOSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g4vCIiZnM
Name 1,2-Cyclohexanediol, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, 2-acetate, (1.alpha.,2.beta.,4Z)-(.+-.)-
Alternate Name(s) (1S,2S,5Z)-5-(1,5-dimethyl-4-hexenylidene)-2-hydroxy-2-methylcyclohexyl acetate
CAS Registry Number 104714-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12(2)7-6-8-13(3)15-9-10-17(5,19)16(11-15)20-14(4)18/h7,16,19H,6,8-11H2,1-5H3/b15-13-/t16-,17-/m0/s1
InChIKey MXPVLSGVXWESJF-CUMWXBBOSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@]1(CC\C(C[C@@]1(OC(=O)C)[H])=C\(CCC=C(C)C)C)C
SPLASH splash10-0pb9-1920000000-00ddea9e532f0625e468
Source of Spectrum C-108-7808-40
Wiley ID 1284182