| SpectraBase Spectrum ID |
IFVzzTHiEIL |
| Name |
(2R,3R)-2-((1R,4R,4as,8as)-4,7-Dimethyl-1,2,3,4,4A,5,6,8A-octahydronaphthalen-1-yl)non-8-en-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.276615778 u |
| Formula |
C21H36O |
| InChI |
InChI=1S/C21H36O/c1-5-6-7-8-9-21(22)17(4)19-13-11-16(3)18-12-10-15(2)14-20(18)19/h5,14,16-22H,1,6-13H2,2-4H3/t16-,17-,18+,19+,20+,21-/m1/s1 |
| InChIKey |
FTZZQGLIUHLMHR-QMFSVNIWSA-N |
| Molecular Weight |
304.518 g/mol |
| SMILES |
C[C@@]([C@](O)(CCCCC=C)[H])([C@@]1(CC[C@]([C@@]2(CCC(=C[C@]12[H])C)[H])(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899311 |
