| SpectraBase Spectrum ID |
AOER4ifadEx |
| Name |
2-Acetamidomalonamide, N,N'-diheptyl-N,N'-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.314792189 u |
| Formula |
C21H41N3O3 |
| InChI |
InChI=1S/C21H41N3O3/c1-6-8-10-12-14-16-23(4)20(26)19(22-18(3)25)21(27)24(5)17-15-13-11-9-7-2/h19H,6-17H2,1-5H3,(H,22,25) |
| InChIKey |
HUPFRMLLBFGSKA-UHFFFAOYSA-N |
| Molecular Weight |
383.577 g/mol |
| SMILES |
C(=O)(NC(C(N(C)CCCCCCC)=O)C(N(C)CCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968776 |
