| SpectraBase Spectrum ID |
LSpSrSjr0pO |
| Name |
3 alpha-Hydroxy-2-methylene-4 beta-thujanemethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-7(2)12-5-9(12)11(4,6-13)10(14)8(12)3/h7,9-10,13-14H,3,5-6H2,1-2,4H3/t9-,10-,11-,12-/m0/s1 |
| InChIKey |
CAWGIEMQJLFISC-BJDJZHNGSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
OC[C@]1([C@@]2(C[C@@]2(C([C@@]1(O)[H])=C)C(C)C)[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.835167 |
