| SpectraBase Spectrum ID |
6ZafCfj5hGk |
| Name |
(3R,3ar,4S)-3-Ethoxy-3A,8-dimethyl-2,3,4,5-tetrahydro-1H-azulen-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-4-16-13-9-8-11-10(2)6-5-7-12(15)14(11,13)3/h5-6,12-13,15H,4,7-9H2,1-3H3/t12-,13+,14+/m0/s1 |
| InChIKey |
MXEPUKLSYLHCOK-BFHYXJOUSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]12(C(=C(C=CC[C@@]2(O)[H])C)CC[C@]1(OCC)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968916 |
