| SpectraBase Spectrum ID |
G9Zhp0JphmS |
| Name |
(1S,2S,4S)-1-Isopropyl-4-methyl-cyclohexane-1,2,4-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.141244501 u |
| Formula |
C10H20O3 |
| InChI |
InChI=1S/C10H20O3/c1-7(2)10(13)5-4-9(3,12)6-8(10)11/h7-8,11-13H,4-6H2,1-3H3/t8-,9-,10-/m0/s1 |
| InChIKey |
PIMPVDYOTPRZQZ-GUBZILKMSA-N |
| Molecular Weight |
188.267 g/mol |
| SMILES |
[C@@]1([C@](C[C@](CC1)(O)C)(O)[H])(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913698 |
