| SpectraBase Compound ID | CGXMUU0r2n2 |
|---|---|
| InChI | InChI=1S/C13H13N3O/c14-12-5-3-11(4-6-12)13(17)16-9-10-2-1-7-15-8-10/h1-8H,9,14H2,(H,16,17) |
| InChIKey | UMQVSNJQSZKTJG-UHFFFAOYSA-N |
| Mol Weight | 227.27 g/mol |
| Molecular Formula | C13H13N3O |
| Exact Mass | 227.105862 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 | IYfffFn1qgR |
|---|---|
| Name | Benzamide, 4-amino-N-(3-pyridylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.105862050 u |
| Formula | C13H13N3O |
| InChI | InChI=1S/C13H13N3O/c14-12-5-3-11(4-6-12)13(17)16-9-10-2-1-7-15-8-10/h1-8H,9,14H2,(H,16,17) |
| InChIKey | UMQVSNJQSZKTJG-UHFFFAOYSA-N |
| Molecular Weight | 227.267 g/mol |
| SMILES | C(NC(=O)C1=CC=C(C=C1)N)C1=CN=CC=C1 |