| SpectraBase Spectrum ID |
71ARlI9vrCx |
| Name |
Fumaric acid, decyl tetradec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.370910086 u |
| Formula |
C28H50O4 |
| InChI |
InChI=1S/C28H50O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-17-12-10-8-6-4-2/h18,20,23-24H,3-17,19,21-22,25-26H2,1-2H3/b20-18+,24-23+ |
| InChIKey |
OEKIRHNVSVYUEM-NRJODPMSSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980016 |
