| SpectraBase Spectrum ID |
7q20ON8lyBk |
| Name |
Fumaric acid, dodecyl tetradec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.402210215 u |
| Formula |
C30H54O4 |
| InChI |
InChI=1S/C30H54O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-28-34-30(32)26-25-29(31)33-27-23-21-19-17-14-12-10-8-6-4-2/h20,22,25-26H,3-19,21,23-24,27-28H2,1-2H3/b22-20+,26-25+ |
| InChIKey |
YQDQWBFXNCSFPC-BMRAXTPNSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974395 |
