| SpectraBase Spectrum ID |
ETFhPVTje2P |
| Name |
Fumaric acid, 1-cyclopentylethyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-25(27)20-21-26(28)30-23(2)24-18-15-16-19-24/h20-21,23-24H,3-19,22H2,1-2H3/b21-20+ |
| InChIKey |
FCZCKOXHNNNHTB-QZQOTICOSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C(OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O)(C)C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835215 |
