| SpectraBase Spectrum ID |
EKctxYDk32C |
| Name |
Fumaric acid, monoamide, N,N-dihexyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.246043924 u |
| Formula |
C18H33NO3 |
| InChI |
InChI=1S/C18H33NO3/c1-4-7-9-11-15-19(16-12-10-8-5-2)17(20)13-14-18(21)22-6-3/h13-14H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey |
LJKCAOJFSAXXKZ-BUHFOSPRSA-N |
| Molecular Weight |
311.466 g/mol |
| SMILES |
C(N(C(\C=C\C(OCC)=O)=O)CCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879032 |
