SpectraBase Spectrum ID |
GGwWzVpGhoD |
Name |
Fumaric acid, monoamide, N-dodecyl-, 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/c1-3-5-6-7-8-9-10-11-12-13-16-20-18(21)14-15-19(22)23-17-4-2/h14-15H,3-13,16-17H2,1-2H3,(H,20,21)/b15-14+ |
InChIKey |
RAFUMVBTVHJFAA-CCEZHUSRSA-N |
Molecular Weight |
325.493 g/mol |
SMILES |
C(CCCCCCCNC(\C=C\C(=O)OCCC)=O)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878661 |