| SpectraBase Spectrum ID |
KEYA82yeXYt |
| Name |
Succinic acid, 3,7-dimethyloct-6-en-1-yl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-5-6-7-8-9-10-17-25-21(23)14-15-22(24)26-18-16-20(4)13-11-12-19(2)3/h12,20H,5-11,13-18H2,1-4H3 |
| InChIKey |
BVPJRJVVWOPAFK-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CC(C)=CCCC(C)CCOC(CCC(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858772 |
