| SpectraBase Spectrum ID |
31AimMcZNiU |
| Name |
7-(5,5,8A-Trimethyl-2-methylenedecahydronaphthyl)-5-methyl-hept-4-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.276615778 u |
| Formula |
C22H36O |
| InChI |
InChI=1S/C22H36O/c1-17(9-6-7-16-23)10-12-19-18(2)11-13-20-21(3,4)14-8-15-22(19,20)5/h9,16,19-20H,2,6-8,10-15H2,1,3-5H3/b17-9+ |
| InChIKey |
NIVKBGFNMQNRKJ-RQZCQDPDSA-N |
| Molecular Weight |
316.529 g/mol |
| SMILES |
C12(C(C(C)(C)CCC2)CCC(C1CC\C(=C\CCC=O)C)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931396 |
