| SpectraBase Spectrum ID |
FQw398wiKF7 |
| Name |
(E)-5-((1S,5R,8ar)-5-Formyl-5,8A-dimethyl-2-methylenedecahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.250794952 u |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-16(11-14-25-18(3)24)7-9-19-17(2)8-10-20-21(4,15-23)12-6-13-22(19,20)5/h11,15,19-20H,2,6-10,12-14H2,1,3-5H3/b16-11+/t19-,20?,21-,22+/m0/s1 |
| InChIKey |
DVASWGUNFKKFPR-FXOBXSKUSA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
C1C[C@@](C2CCC([C@@]([C@]2(C1)C)(CC\C(C)=C\COC(=O)C)[H])=C)(C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922053 |
