| SpectraBase Compound ID | 7fULOGCHF98 |
|---|---|
| InChI | InChI=1S/C9H5ClF2N2O6/c10-9(11,12)8(15)20-4-5-1-6(13(16)17)3-7(2-5)14(18)19/h1-3H,4H2 |
| InChIKey | CUCJMXIHFQZJMF-UHFFFAOYSA-N |
| Mol Weight | 310.6 g/mol |
| Molecular Formula | C9H5ClF2N2O6 |
| Exact Mass | 309.98042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jkDmeW9D6j |
|---|---|
| Name | 3,5-Dinitrobenzyl alcohol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.980419909 u |
| Formula | C9H5ClF2N2O6 |
| InChI | InChI=1S/C9H5ClF2N2O6/c10-9(11,12)8(15)20-4-5-1-6(13(16)17)3-7(2-5)14(18)19/h1-3H,4H2 |
| InChIKey | CUCJMXIHFQZJMF-UHFFFAOYSA-N |
| Molecular Weight | 310.597 g/mol |
| SMILES | C1=C(C=C(C=C1COC(C(F)(F)Cl)=O)N(=O)=O)N(=O)=O |