| SpectraBase Spectrum ID |
E4qS4UrU49V |
| Name |
Fumaric acid, dodecyl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-16H,4-13,17-18H2,1-3H3/b15-14+ |
| InChIKey |
PPIZIYWJWBSRQS-CCEZHUSRSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(=CCOC(\C=C\C(OCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965522 |
