| SpectraBase Compound ID | 7S2ABJWjkWB |
|---|---|
| InChI | InChI=1S/C8H8ClNO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3 |
| InChIKey | OFXIFGBYOCETDW-UHFFFAOYSA-N |
| Mol Weight | 169.61 g/mol |
| Molecular Formula | C8H8ClNO |
| Exact Mass | 169.029442 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LlRWawvPzlJ |
|---|---|
| Name | Ethanone, 1-(5-amino-2-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/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3 |
| InChIKey | OFXIFGBYOCETDW-UHFFFAOYSA-N |
| SMILES | NC=1C=C(C(=CC1)Cl)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.84227 |