| SpectraBase Spectrum ID |
E4g2hSPHIg9 |
| Name |
1,2-Cyclohexanediol, 3-methyl-6-(1-methylethyl)-, (1.alpha.,2.beta.,3.beta.,6.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3 |
| InChIKey |
WQFGPARDTSBVLU-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| SMILES |
CC(C)C1C(O)C(O)C(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846385 |
