| SpectraBase Spectrum ID |
GTNsibiaNQm |
| Name |
Fumaric acid, monoamide, N,N-dinonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.355594374 u |
| Formula |
C25H47NO3 |
| InChI |
InChI=1S/C25H47NO3/c1-4-7-9-11-13-15-17-21-26(22-18-16-14-12-10-8-5-2)24(27)19-20-25(28)29-23-6-3/h19-20H,4-18,21-23H2,1-3H3/b20-19+ |
| InChIKey |
WDEZBMUEZAIKRB-FMQUCBEESA-N |
| Molecular Weight |
409.655 g/mol |
| SMILES |
C(CCCN(C(\C=C\C(=O)OCCC)=O)CCCCCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89384 |
