| SpectraBase Spectrum ID |
5pkwEuSw2UN |
| Name |
1,6(2H,5H)-Naphthalenedione, hexahydro-5,8A-dimethyl-5-(2-propenyl)-, (4A.alpha.,5.alpha.,8A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-4-9-14(2)11-6-5-7-12(16)15(11,3)10-8-13(14)17/h4,11H,1,5-10H2,2-3H3/t11-,14-,15-/m0/s1 |
| InChIKey |
JJLSBJMCSSUPGS-CQDKDKBSSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
[C@@]12([C@]([C@@](CC=C)(C)C(CC2)=O)(CCCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88451 |
