| SpectraBase Spectrum ID |
HqAH5a8fuXr |
| Name |
Fumaric acid, cyclohexylmethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/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/h16-17,20H,2-15,18-19H2,1H3/b17-16+ |
| InChIKey |
PGIWSTQAMDTCIB-WUKNDPDISA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(OC(\C=C\C(OCCCCCCCCCCC)=O)=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950783 |
