| SpectraBase Spectrum ID |
35iiIBJmiO7 |
| Name |
Fumaric acid, 3-heptyl undecyl 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/c1-4-7-9-10-11-12-13-14-15-19-25-21(23)17-18-22(24)26-20(6-3)16-8-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey |
XJDPTAMOAPIIJL-ISLYRVAYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OC(CC)CCCC)(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975547 |
