| SpectraBase Spectrum ID |
JhF4O2ioWVZ |
| Name |
Fumaric acid, 2-decyl octyl 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/c1-4-6-8-10-12-14-16-20(3)26-22(24)18-17-21(23)25-19-15-13-11-9-7-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey |
OSSBBFIPDUQWSO-ISLYRVAYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OC(CCCCCCCC)C)(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943647 |
