| SpectraBase Spectrum ID |
1HEdzpPC7Bv |
| Name |
Fumaric acid, cyclohex-3-enylmethyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.323959893 u |
| Formula |
C26H44O4 |
| InChI |
InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-23-24-18-15-14-16-19-24/h14-15,20-21,24H,2-13,16-19,22-23H2,1H3/b21-20+ |
| InChIKey |
CSHFJZKMMGHVPY-QZQOTICOSA-N |
| Molecular Weight |
420.634 g/mol |
| SMILES |
C1C(CCC=C1)COC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878297 |
