| SpectraBase Spectrum ID |
8XpYfp5xijA |
| Name |
Fumaric acid, monoamide, N,N-dihexyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.261693988 u |
| Formula |
C19H35NO3 |
| InChI |
InChI=1S/C19H35NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h13-14H,4-12,15-17H2,1-3H3/b14-13+ |
| InChIKey |
PRMRTEBSSWWKQX-BUHFOSPRSA-N |
| Molecular Weight |
325.493 g/mol |
| SMILES |
C(CCN(C(\C=C\C(=O)OCCC)=O)CCCCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854826 |
