| SpectraBase Compound ID | D4f8ZQMzYjA |
|---|---|
| InChI | InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2 |
| InChIKey | XRAKCYJTJGTSMM-UHFFFAOYSA-N |
| Mol Weight | 145.56 g/mol |
| Molecular Formula | C6H5ClFN |
| Exact Mass | 145.009455 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | b9icmsZFA5 |
|---|---|
| Name | 2-Chloro-4-fluoroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.009455028 u |
| Formula | C6H5ClFN |
| InChI | InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2 |
| InChIKey | XRAKCYJTJGTSMM-UHFFFAOYSA-N |
| Molecular Weight | 145.564 g/mol |
| SMILES | NC=1C(=CC(=CC1)F)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.963681 |