| SpectraBase Spectrum ID |
5uRze3WZn6B |
| Name |
Fumaric acid, tetradec-3-enyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.417860279 u |
| Formula |
C31H56O4 |
| InChI |
InChI=1S/C31H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,26-27H,3-20,22,24-25,28-29H2,1-2H3/b23-21+,27-26+ |
| InChIKey |
HBJVRZVOMKFHMS-LSSFEAIKSA-N |
| Molecular Weight |
492.785 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965587 |
