| SpectraBase Compound ID | 1dY389JXYYc |
|---|---|
| InChI | InChI=1S/C9H16N2O2/c1-7(2)6-8(9(12)13)11-5-3-4-10/h7-8,11H,3,5-6H2,1-2H3,(H,12,13) |
| InChIKey | LDJILTICAUJGMO-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C9H16N2O2 |
| Exact Mass | 184.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9oer4y5FIlF |
|---|---|
| Name | Pentanoic acid, 2-(2-cyanoethylamino)-4-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.121177761 u |
| Formula | C9H16N2O2 |
| InChI | InChI=1S/C9H16N2O2/c1-7(2)6-8(9(12)13)11-5-3-4-10/h7-8,11H,3,5-6H2,1-2H3,(H,12,13) |
| InChIKey | LDJILTICAUJGMO-UHFFFAOYSA-N |
| Molecular Weight | 184.239 g/mol |
| SMILES | CC(C)CC(C(=O)O)NCCC#N |