| SpectraBase Compound ID | 7mJ6HTSVFmJ |
|---|---|
| InChI | InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13) |
| InChIKey | AIHKMGLJGLKLSI-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C9H11ClN2O |
| Exact Mass | 198.055991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1hQi7eM9dpb |
|---|---|
| Name | N-(2-Aminoethyl)-4-chlorobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.055990681 u |
| Formula | C9H11ClN2O |
| InChI | InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13) |
| InChIKey | AIHKMGLJGLKLSI-UHFFFAOYSA-N |
| Molecular Weight | 198.653 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)NCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899457 |