| SpectraBase Spectrum ID |
3NpJMkcz18F |
| Name |
Fumaric acid, monoamide, N,N-dioctyl-, ethyl 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/c1-4-7-9-11-13-15-19-23(20-16-14-12-10-8-5-2)21(24)17-18-22(25)26-6-3/h17-18H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey |
NCGUPFWSOBMUHZ-ISLYRVAYSA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
C(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91975 |
