SpectraBase Spectrum ID |
JEVi7WLvYBV |
Name |
(1'R,3'S)-cis-(3'-Hydroxy-2',2'-dimethyl-6'-methylene-1'-cyclohexyl)methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
170.130679818 u |
Formula |
C10H18O2 |
InChI |
InChI=1S/C10H18O2/c1-7-4-5-9(12)10(2,3)8(7)6-11/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+/m1/s1 |
InChIKey |
LEIQDRCOVQOCAM-BDAKNGLRSA-N |
Molecular Weight |
170.252 g/mol |
SMILES |
C1([C@@](C(=C)CC[C@@]1(O)[H])(CO)[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939163 |