| SpectraBase Compound ID | ETkvMBTve6E |
|---|---|
| InChI | InChI=1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11) |
| InChIKey | QNEJYHVIYJFNHC-UHFFFAOYSA-N |
| Mol Weight | 170.6 g/mol |
| Molecular Formula | C7H7ClN2O |
| Exact Mass | 170.024691 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8xHMvRxAyDW |
|---|---|
| Name | 2-Amino-4-chlorobenzamide; benzamide, 2-amino-4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.024690552 u |
| Formula | C7H7ClN2O |
| InChI | InChI=1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11) |
| InChIKey | QNEJYHVIYJFNHC-UHFFFAOYSA-N |
| Molecular Weight | 170.599 g/mol |
| SMILES | NC1=C(C(N)=O)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.788584 |