| SpectraBase Spectrum ID |
FXCAf23z1EB |
| Name |
ent-14,15-Dinor-8-alpha,13(R)-labdanediol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h13-15,19-20H,6-12H2,1-5H3/t13-,14-,15+,17-,18+/m0/s1 |
| InChIKey |
HFEFNSOKHKUOER-ONMISFSYSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
[C@]1(O)(CC[C@]2(C(CCC[C@@]2([C@]1(CC[C@@](O)(C)[H])[H])C)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932087 |
