SpectraBase Spectrum ID |
BmBx1a11DPQ |
Name |
(1S-(1Alpha,2alpha,4beta))-1-isopropenyl-4-methyl-1,2-cyclohexanediol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
170.130679818 u |
Formula |
C10H18O2 |
InChI |
InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h8-9,11-12H,1,4-6H2,2-3H3 |
InChIKey |
VQUDROQOTVEBFZ-UHFFFAOYSA-N |
Molecular Weight |
170.252 g/mol |
SMILES |
C1CC(C(CC1C)O)(O)C(=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935913 |