| SpectraBase Spectrum ID |
7kP2ERu6ZWZ |
| Name |
Fumaric acid, 2-dimethylaminoethyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-24(27)19-20-25(28)30-23-21-26(2)3/h19-20H,4-18,21-23H2,1-3H3/b20-19+ |
| InChIKey |
NTKVSCJPPNIJDC-FMQUCBEESA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951559 |
