| SpectraBase Spectrum ID |
IBwkh1FFQ6z |
| Name |
3',7'-Dimethyloct-6'-enyl 3-methyl-2-oxopentadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.360345403 u |
| Formula |
C26H48O3 |
| InChI |
InChI=1S/C26H48O3/c1-6-7-8-9-10-11-12-13-14-15-19-24(5)25(27)26(28)29-21-20-23(4)18-16-17-22(2)3/h17,23-24H,6-16,18-21H2,1-5H3 |
| InChIKey |
LSWULUHQTWNICW-UHFFFAOYSA-N |
| Molecular Weight |
408.667 g/mol |
| SMILES |
C(C(=O)OCCC(CCC=C(C)C)C)(=O)C(CCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967173 |
