| SpectraBase Spectrum ID |
1CqOzMj1rWP |
| Name |
Fumaric acid, monoamide, N-dodecyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.339944310 u |
| Formula |
C24H45NO3 |
| InChI |
InChI=1S/C24H45NO3/c1-3-5-7-9-11-12-13-14-15-17-21-25-23(26)19-20-24(27)28-22-18-16-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3,(H,25,26)/b20-19+ |
| InChIKey |
PENGTCLDGIWYMC-FMQUCBEESA-N |
| Molecular Weight |
395.628 g/mol |
| SMILES |
C(CCCCCNC(\C=C\C(OCCCCCCCC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919744 |
