| SpectraBase Spectrum ID |
1UbGUBzs888 |
| Name |
Fumaric acid, monoamide, N,N-diheptyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.277344052 u |
| Formula |
C20H37NO3 |
| InChI |
InChI=1S/C20H37NO3/c1-4-7-9-11-13-17-21(18-14-12-10-8-5-2)19(22)15-16-20(23)24-6-3/h15-16H,4-14,17-18H2,1-3H3/b16-15+ |
| InChIKey |
NEIBSOYAFAODPN-FOCLMDBBSA-N |
| Molecular Weight |
339.520 g/mol |
| SMILES |
C(CN(C(\C=C\C(OCC)=O)=O)CCCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922314 |
