| SpectraBase Spectrum ID |
8ZvovXc8JLo |
| Name |
Fumaric acid, decyl 2,4-dimethylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-21(17(2)3)18(4)5/h14-15,17-18,21H,6-13,16H2,1-5H3/b15-14+ |
| InChIKey |
VSCNDMTYLCLTFJ-CCEZHUSRSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855492 |
