| SpectraBase Compound ID | 3QuQMysrBDD |
|---|---|
| InChI | InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2 |
| InChIKey | KIFWACLIANOVDG-UHFFFAOYSA-N |
| Mol Weight | 169.61 g/mol |
| Molecular Formula | C8H8ClNO |
| Exact Mass | 169.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5zwoX6DUr7a |
|---|---|
| Name | 1-Ethanone, 2-amino-1-(4-chlorophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.029441581 u |
| Formula | C8H8ClNO |
| InChI | InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2 |
| InChIKey | KIFWACLIANOVDG-UHFFFAOYSA-N |
| Molecular Weight | 169.611 g/mol |
| SMILES | C(C1=CC=C(C=C1)Cl)(=O)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926019 |