| SpectraBase Compound ID | JuPwegSBm54 |
|---|---|
| InChI | InChI=1S/C9H9F2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3 |
| InChIKey | XWGIBKPPTIGDDI-UHFFFAOYSA-N |
| Mol Weight | 185.17 g/mol |
| Molecular Formula | C9H9F2NO |
| Exact Mass | 185.06522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b7jaH0IJbn |
|---|---|
| Name | 2',4'-Difluoro-N-methylacetanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.065220239 u |
| Formula | C9H9F2NO |
| InChI | InChI=1S/C9H9F2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3 |
| InChIKey | XWGIBKPPTIGDDI-UHFFFAOYSA-N |
| Molecular Weight | 185.174 g/mol |
| SMILES | C1=C(C(=CC(=C1)F)F)N(C(C)=O)C |