| SpectraBase Compound ID | 7mxGYbJGnHM |
|---|---|
| InChI | InChI=1S/C7H5ClFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | XIQZTMMWBKPFSE-UHFFFAOYSA-N |
| Mol Weight | 173.57 g/mol |
| Molecular Formula | C7H5ClFNO |
| Exact Mass | 173.00437 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E1ybfe9pVwz |
|---|---|
| Name | 2-Chloro-4-fluorobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.004369647 u |
| Formula | C7H5ClFNO |
| InChI | InChI=1S/C7H5ClFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | XIQZTMMWBKPFSE-UHFFFAOYSA-N |
| Molecular Weight | 173.574 g/mol |
| SMILES | C1(=CC=C(C(=C1)Cl)C(N)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966868 |