(1S,2S,5R)-2-Hydroxy-5-isopropenyl-2-methylcyclohexyl benzoate

enlarge

Systematic / IUPAC Name: [(1S,2S,5R)-2-Hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate

ID: Reference7983

Other Names: 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-

Formula: C17H22O3

Spectral Data

(1S,2S,5R)-2-Hydroxy-5-isopropenyl-2-methylcyclohexyl benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2018 11:40:36 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H22O3/c1-12(2)14-9-10-17(3,19)15(11-14)20-16(18)13-7-5-4-6-8-13/h4-8,14-15,19H,1,9-11H2,2-3H3/t14-,15+,17+/m1/s1
InChI Key KGTUUJMNKKRNKR-VYDXJSESSA-N
Canonical SMILES CC(=C)C1CCC(C(C1)OC(=O)C2=CC=CC=C2)(C)O
CAS
Splash
Other Names 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-

In Other Databases

ChemSpider 22913806
PubChem 23757074