| SpectraBase Spectrum ID |
9ieMe1jS7ss |
| Name |
Fumaric acid, 1-cyclopentylethyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-14-19-26-22(24)17-18-23(25)27-20(2)21-15-12-13-16-21/h17-18,20-21H,3-16,19H2,1-2H3/b18-17+ |
| InChIKey |
HYXYNEKPVSUBIG-ISLYRVAYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(OC(C)C1CCCC1)(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899008 |
