| SpectraBase Spectrum ID |
7xhdfxdcszl |
| Name |
Fumaric acid, 2-ethylcyclohexyl pentadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-30-26(28)21-22-27(29)31-25-20-17-16-19-24(25)4-2/h21-22,24-25H,3-20,23H2,1-2H3/b22-21+ |
| InChIKey |
KSMRHEWFPIGATG-QURGRASLSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
C(C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895683 |
