| SpectraBase Spectrum ID |
Kem5eDE9EHv |
| Name |
(1R,3S,4R)-3-Isopropyl-1,4-dimethyl-cyclohexane-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-8(2)11(13)7-10(4,12)6-5-9(11)3/h8-9,12-13H,5-7H2,1-4H3/t9-,10-,11+/m1/s1 |
| InChIKey |
HFBADAPLEVCGSF-MXWKQRLJSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
[C@]1(C[C@@](O)(C)CC[C@]1(C)[H])(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940589 |
