| SpectraBase Spectrum ID |
5ukWqI9Yy9Z |
| Name |
Fumaric acid, cyclohex-3-enylmethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-13-18-25-21(23)16-17-22(24)26-19-20-14-11-10-12-15-20/h10-11,16-17,20H,2-9,12-15,18-19H2,1H3/b17-16+ |
| InChIKey |
RPKCDRLWUZJREG-WUKNDPDISA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C1=CCCC(C1)COC(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922431 |
