| SpectraBase Spectrum ID |
hySw70GgHy |
| Name |
Fumaric acid, monoamide, N-dodecyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.308644181 u |
| Formula |
C22H41NO3 |
| InChI |
InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-18-23-21(24)16-17-22(25)26-19-14-15-20(2)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,23,24)/b17-16+ |
| InChIKey |
FOSQTFYJHLJZDY-WUKNDPDISA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
C(CCCCNC(\C=C\C(OCCCC(C)C)=O)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82827 |
