| SpectraBase Spectrum ID |
LGdFJxARPHF |
| Name |
1-[2-(Heptylmethylcarbamoyl)acetyl]pyrrolidine-2-carboxylic acid, heptylmethylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.346092318 u |
| Formula |
C24H45N3O3 |
| InChI |
InChI=1S/C24H45N3O3/c1-5-7-9-11-13-17-25(3)22(28)20-23(29)27-19-15-16-21(27)24(30)26(4)18-14-12-10-8-6-2/h21H,5-20H2,1-4H3 |
| InChIKey |
ZCNFQHBAORJCGN-UHFFFAOYSA-N |
| Molecular Weight |
423.642 g/mol |
| SMILES |
CN(C(CC(=O)N1C(C(=O)N(CCCCCCC)C)CCC1)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86479 |
![1-[2-(Heptylmethylcarbamoyl)acetyl]pyrrolidine-2-carboxylic acid, heptylmethylamide](/api/spectrum/LGdFJxARPHF/structure.png?h=300&w=458 "1-[2-(Heptylmethylcarbamoyl)acetyl]pyrrolidine-2-carboxylic acid, heptylmethylamide")
