| SpectraBase Spectrum ID |
7NFZkSg7c5z |
| Name |
Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icos-1-ylmethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.260965714 u |
| Formula |
C21H34O |
| InChI |
InChI=1S/C21H34O/c22-13-21-17-10-4-1-7-14(17)20(15-8-2-5-11-18(15)21)16-9-3-6-12-19(16)21/h14-20,22H,1-13H2/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey |
LOBOPBCOLBXKCM-VOVZHTNUSA-N |
| SMILES |
[C@]12([C@@]3([C@@](CCCC3)([C@@]([C@]3([C@@]1(CCCC3)[H])[H])([C@@]1([C@]2(CCCC1)[H])[H])CO)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868472 |
![Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icos-1-ylmethanol](/api/spectrum/7NFZkSg7c5z/structure.png?h=300&w=458 "Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icos-1-ylmethanol")
