| SpectraBase Spectrum ID |
IBOeJFxoaGA |
| Name |
Benz[F]azulene-5,8-diol, tetradecahydro-3A,5,8A-trimethyl-1-(1-methylethenyl)-, [1S-(1.alpha.,3A.beta.,4A.beta.,5.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 |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-13(2)14-6-9-18(3)12-16-19(4,10-7-15(14)18)17(21)8-11-20(16,5)22/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
QLUDHIWOXIXFCY-BYXVQRNISA-N |
| SMILES |
[C@]12([C@@](C[C@@]3(CC[C@@]([C@]3(CC2)[H])(C(=C)C)[H])C)([C@@](O)(C)CC[C@]1(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932747 |
![Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-](/api/spectrum/IBOeJFxoaGA/structure.png?h=300&w=458 "Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, [1S-(1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)]-")
