| SpectraBase Spectrum ID |
1x1HMSBk3kk |
| Name |
Fumaric acid, 2-dimethylaminoethyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.303558800 u |
| Formula |
C22H41NO4 |
| InChI |
InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26-21(24)16-17-22(25)27-20-18-23(2)3/h16-17H,4-15,18-20H2,1-3H3/b17-16+ |
| InChIKey |
JVDQSLGGEZTKFI-WUKNDPDISA-N |
| Molecular Weight |
383.573 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCCN(C)C)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956208 |
