![Heptanamide, N-[3-[(2-cyanoethyl)amino]propyl]-N-hexyl-](/api/spectrum/8bRBtPuMbzA/structure.png?h=300&w=458 "Heptanamide, N-[3-[(2-cyanoethyl)amino]propyl]-N-hexyl-")
| SpectraBase Compound ID | BefSzzg0Zkn |
|---|---|
| InChI | InChI=1S/C19H37N3O/c1-3-5-7-9-13-19(23)22(17-10-8-6-4-2)18-12-16-21-15-11-14-20/h21H,3-13,15-18H2,1-2H3 |
| InChIKey | KSQHXVFDUPCMQV-UHFFFAOYSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C19H37N3O |
| Exact Mass | 323.293663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bRBtPuMbzA |
|---|---|
| Name | Heptanamide, N-[3-[(2-cyanoethyl)amino]propyl]-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.293662822 u |
| Formula | C19H37N3O |
| InChI | InChI=1S/C19H37N3O/c1-3-5-7-9-13-19(23)22(17-10-8-6-4-2)18-12-16-21-15-11-14-20/h21H,3-13,15-18H2,1-2H3 |
| InChIKey | KSQHXVFDUPCMQV-UHFFFAOYSA-N |
| Molecular Weight | 323.525 g/mol |
| SMILES | C(#N)CCNCCCN(C(=O)CCCCCC)CCCCCC |