| SpectraBase Spectrum ID |
F86sWCRupZS |
| Name |
Fumaric acid, 2-heptyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-4-6-8-9-10-11-12-13-14-15-16-18-22-28-24(26)20-21-25(27)29-23(3)19-17-7-5-2/h20-21,23H,4-19,22H2,1-3H3/b21-20+ |
| InChIKey |
MAWDLNKKJDBANT-QZQOTICOSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97199 |
