| SpectraBase Spectrum ID |
CJZXjEcrYGE |
| Name |
Fumaric acid, 2,4-dimethylpent-3-yl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)17-18-23(26)28-24(20(2)3)21(4)5/h17-18,20-21,24H,6-16,19H2,1-5H3/b18-17+ |
| InChIKey |
BLSQXBNOSWJHOM-ISLYRVAYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929646 |
