| SpectraBase Spectrum ID |
H6uXbZX80uF |
| Name |
N-Heptyl-N'-(9-[2-(heptyl-methyl-carbamoyl)-acetylamino]-nonyl)-N-methyl-malonamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
552.461456424 u |
| Formula |
C31H60N4O4 |
| InChI |
InChI=1S/C31H60N4O4/c1-5-7-9-16-20-24-34(3)30(38)26-28(36)32-22-18-14-12-11-13-15-19-23-33-29(37)27-31(39)35(4)25-21-17-10-8-6-2/h5-27H2,1-4H3,(H,32,36)(H,33,37) |
| InChIKey |
KEFOYPOHFZUITN-UHFFFAOYSA-N |
| Molecular Weight |
552.845 g/mol |
| SMILES |
CN(C(CC(NCCCCCCCCCNC(CC(N(C)CCCCCCC)=O)=O)=O)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941122 |
![N-Heptyl-N'-(9-[2-(heptyl-methyl-carbamoyl)-acetylamino]-nonyl)-N-methyl-malonamide](/api/spectrum/H6uXbZX80uF/structure.png?h=300&w=458 "N-Heptyl-N'-(9-[2-(heptyl-methyl-carbamoyl)-acetylamino]-nonyl)-N-methyl-malonamide")
