| SpectraBase Spectrum ID |
9Dd1swWPin7 |
| Name |
Benz[F]azulene-7,8-diol, tetradecahydro-3A,8A-dimethyl-5-methylene-1-(1-methylethenyl)-, [1S-(1.alpha.,3A.beta.,4A.beta.,7.beta.,8.alpha.,8A.alpha.,10A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-12(2)14-6-8-19(4)11-16-13(3)10-17(21)18(22)20(16,5)9-7-15(14)19/h14-18,21-22H,1,3,6-11H2,2,4-5H3/t14-,15+,16-,17-,18+,19-,20+/m1/s1 |
| InChIKey |
IJZRUMMSQROUQW-YBRIYBKASA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
[C@]12([C@@](C(=C)C[C@]([C@@]2(O)[H])(O)[H])(C[C@]2(CC[C@@]([C@@]2(CC1)[H])(C(=C)C)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903018 |
![Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-](/api/spectrum/9Dd1swWPin7/structure.png?h=300&w=458 "Benz[f]azulene-7,8-diol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-")
