| SpectraBase Spectrum ID |
4dTAh0iMiCY |
| Name |
Fumaric acid, dec-4-enyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.355260022 u |
| Formula |
C27H48O4 |
| InChI |
InChI=1S/C27H48O4/c1-3-5-7-9-11-13-14-15-17-19-21-25-31-27(29)23-22-26(28)30-24-20-18-16-12-10-8-6-4-2/h12,16,22-23H,3-11,13-15,17-21,24-25H2,1-2H3/b16-12+,23-22+ |
| InChIKey |
VOOSXLQEOIDGHJ-NNGVQURCSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969529 |
