| SpectraBase Spectrum ID |
7eBMsfvXHPf |
| Name |
3,7-Dimethyloct-6-en-1-yl octanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,17H,5-10,12-15H2,1-4H3 |
| InChIKey |
RDBWSCQYUJLRGB-UHFFFAOYSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C(CCCCCCC)(=O)OCCC(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987096 |
