| SpectraBase Spectrum ID |
FwfR7QGDVXv |
| Name |
Fumaric acid, trans-hex-3-enyl tridecyl 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/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8,18-19H,3-5,7,9-17,20-21H2,1-2H3/b8-6+,19-18+ |
| InChIKey |
NWYSCFQMVILLBL-OVWOTOAESA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926881 |
