| SpectraBase Compound ID | EZ9v7AYDDBf |
|---|---|
| InChI | InChI=1S/C7H6ClF2N/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,11H,1H3 |
| InChIKey | XMFPSFZKGIWFNO-UHFFFAOYSA-N |
| Mol Weight | 177.58 g/mol |
| Molecular Formula | C7H6ClF2N |
| Exact Mass | 177.015683 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8K6MtUOum2M |
|---|---|
| Name | 2-Chloro-3,5-difluoroaniline, N-methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.015683223 u |
| Formula | C7H6ClF2N |
| InChI | InChI=1S/C7H6ClF2N/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,11H,1H3 |
| InChIKey | XMFPSFZKGIWFNO-UHFFFAOYSA-N |
| Molecular Weight | 177.582 g/mol |
| SMILES | C1(NC)=CC(F)=CC(=C1Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953191 |