| SpectraBase Spectrum ID |
CrO3a0k6PMS |
| Name |
9-Acetoxy-4,10-dimethyl-7-isopropenyl-14-oxo-4E,10E-pentadecadienal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-16(2)21(13-12-17(3)9-8-14-23)15-22(26-20(6)25)18(4)10-7-11-19(5)24/h10,12,14,21-22H,1,7-9,11,13,15H2,2-6H3/b17-12+,18-10+ |
| InChIKey |
ULJGZIQWYSXYII-UJTOSYCASA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(\C(=C\CCC(=O)C)C)(OC(=O)C)CC(C(=C)C)C\C=C\(CCC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952718 |
