| SpectraBase Compound ID | 7v1A3s6gJof |
|---|---|
| InChI | InChI=1S/C9H6ClF2NO4/c10-9(11,12)8(14)17-5-6-1-3-7(4-2-6)13(15)16/h1-4H,5H2 |
| InChIKey | MNJFFLINHSXZQG-UHFFFAOYSA-N |
| Mol Weight | 265.6 g/mol |
| Molecular Formula | C9H6ClF2NO4 |
| Exact Mass | 264.995342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pAPYvESX5m |
|---|---|
| Name | (4-Nitrophenyl)methyl 2-chloranyl-2,2-bis(fluoranyl)ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.995341699 u |
| Formula | C9H6ClF2NO4 |
| InChI | InChI=1S/C9H6ClF2NO4/c10-9(11,12)8(14)17-5-6-1-3-7(4-2-6)13(15)16/h1-4H,5H2 |
| InChIKey | MNJFFLINHSXZQG-UHFFFAOYSA-N |
| Molecular Weight | 265.600 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(COC(C(F)(F)Cl)=O)C=C1 |