| SpectraBase Compound ID | HpKcg1CUQbd |
|---|---|
| InChI | InChI=1S/C12H7ClN2O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H |
| InChIKey | DFCMFIKQNUYHQA-UHFFFAOYSA-N |
| Mol Weight | 294.65 g/mol |
| Molecular Formula | C12H7ClN2O5 |
| Exact Mass | 294.004349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGLvdjwOKUz |
|---|---|
| Name | o-Chlorophenyl 2,4-dinitrophenyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.004349028 u |
| Formula | C12H7ClN2O5 |
| InChI | InChI=1S/C12H7ClN2O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H |
| InChIKey | DFCMFIKQNUYHQA-UHFFFAOYSA-N |
| Molecular Weight | 294.650 g/mol |
| SMILES | C=1(Cl)C=CC=CC1OC=1C(=CC(=CC1)N(=O)=O)N(=O)=O |