| SpectraBase Spectrum ID |
9tDWTkyOuC8 |
| Name |
3,7-Dimethyloct-6-en-1-yl dodecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.318480590 u |
| Formula |
C22H42O2 |
| InChI |
InChI=1S/C22H42O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,21H,5-14,16-19H2,1-4H3 |
| InChIKey |
GARTVHIDFKCTCG-UHFFFAOYSA-N |
| Molecular Weight |
338.576 g/mol |
| SMILES |
C(CCCCCCCCCCC)(=O)OCCC(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971268 |
