| SpectraBase Spectrum ID |
93wTnPrecbX |
| Name |
(1S,3ar,8S,8as,10As)-3A,5,8A-trimethyl-1-(prop-1-en-2-yl)-1,2,3,3A,4,6,7,8,8A,9,10,10A-dodecahydrobenzo[F]azulen-8-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.245315649 u |
| Formula |
C20H32O |
| InChI |
InChI=1S/C20H32O/c1-13(2)15-8-10-19(4)12-17-14(3)6-7-18(21)20(17,5)11-9-16(15)19/h15-16,18,21H,1,6-12H2,2-5H3/t15-,16+,18+,19-,20+/m1/s1 |
| InChIKey |
JGIYJHKDKOUXGI-QVHQYWGISA-N |
| Molecular Weight |
288.475 g/mol |
| SMILES |
C1C[C@@]([C@@]2(C(=C1C)C[C@@]1([C@@](CC2)([C@](CC1)(C(=C)C)[H])[H])C)C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88404 |
![(1S,3aR,8S,8aS,10aS)-3a,5,8a-trimethyl-1-(prop-1-en-2-yl)-1,2,3,3a,4,6,7,8,8a,9,10,10a-dodecahydrobenzo[f]azulen-8-ol](/api/spectrum/93wTnPrecbX/structure.png?h=300&w=458 "(1S,3aR,8S,8aS,10aS)-3a,5,8a-trimethyl-1-(prop-1-en-2-yl)-1,2,3,3a,4,6,7,8,8a,9,10,10a-dodecahydrobenzo[f]azulen-8-ol")
