| SpectraBase Spectrum ID |
3A1VIGip3Yg |
| Name |
Fumaric acid, cycloheptyl 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/c1-2-3-4-5-6-7-8-9-12-15-20-26-22(24)18-19-23(25)27-21-16-13-10-11-14-17-21/h18-19,21H,2-17,20H2,1H3/b19-18+ |
| InChIKey |
JKPFJLNGUCZYPS-VHEBQXMUSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968096 |
