| SpectraBase Spectrum ID |
H2V4xfYBwem |
| Name |
cis-Anti-cis-3,6-dimethyltricyclo[5.4.0.0(2,6)]undecan-3-ol isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-12-7-8-13(2,14)11(12)9-5-3-4-6-10(9)12/h9-11,14H,3-8H2,1-2H3/t9-,10+,11+,12-,13?/m0/s1 |
| InChIKey |
VDELKBUAEBBINA-VNXCBOPGSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
[C@]12([C@@](C(O)(C)CC2)([H])[C@@]2([C@]1(CCCC2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875715 |
![cis-Anti-cis-3,6-dimethyltricyclo[5.4.0.0(2,6)]undecan-3-ol isomer](/api/spectrum/H2V4xfYBwem/structure.png?h=300&w=458 "cis-Anti-cis-3,6-dimethyltricyclo[5.4.0.0(2,6)]undecan-3-ol isomer")
