| SpectraBase Compound ID | BvlOun9UIB5 |
|---|---|
| InChI | InChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12) |
| InChIKey | DROBNRGIMGTXHP-UHFFFAOYSA-N |
| Mol Weight | 164.21 g/mol |
| Molecular Formula | C9H12N2O |
| Exact Mass | 164.094963 g/mol |
| SpectraBase Spectrum ID | JGrjeMLMADC |
|---|---|
| Name | Benzamide, 4-amino-N-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.094963013 u |
| Formula | C9H12N2O |
| InChI | InChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12) |
| InChIKey | DROBNRGIMGTXHP-UHFFFAOYSA-N |
| Molecular Weight | 164.208 g/mol |
| SMILES | C(C1=CC=C(C=C1)N)(=O)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868819 |