| SpectraBase Compound ID | CxRHIuMIVWP |
|---|---|
| InChI | InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13) |
| InChIKey | CPVBIJDFUDYJIO-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C9H13N3O |
| Exact Mass | 179.105862 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K8StYhBQIaR |
|---|---|
| Name | Benzamide, o-amino-N-(2-aminoethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.105862050 u |
| Formula | C9H13N3O |
| InChI | InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13) |
| InChIKey | CPVBIJDFUDYJIO-UHFFFAOYSA-N |
| SMILES | NC1=CC=CC=C1C(NCCN)=O |
| Spectrum/Structure Validation Score (Raman) | 0.873834 |