| SpectraBase Spectrum ID |
5AIU9jca1CE |
| Name |
Fumaric acid, pentyl tetradec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-6-4-2/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3/b15-14+,19-18+ |
| InChIKey |
IFTCZBCCLDZSPW-HOTZHUKSSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(\C=C\C(OCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909179 |
