| SpectraBase Compound ID | HXHqM3qysLD |
|---|---|
| InChI | InChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17) |
| InChIKey | CYSQNIFSCOEHDN-UHFFFAOYSA-N |
| Mol Weight | 246.7 g/mol |
| Molecular Formula | C13H11ClN2O |
| Exact Mass | 246.055991 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HsHTqfD7EuP |
|---|---|
| Name | Benzamide, N-(4-aminophenyl)-4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.055990681 u |
| Formula | C13H11ClN2O |
| InChI | InChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17) |
| InChIKey | CYSQNIFSCOEHDN-UHFFFAOYSA-N |
| SMILES | NC=1C=CC(=CC1)NC(=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.98566 |