| SpectraBase Compound ID | 2hD656FsVS8 |
|---|---|
| InChI | InChI=1S/C13H5ClN2O6/c14-6-1-2-11-8(3-6)12(17)9-4-7(15(18)19)5-10(16(20)21)13(9)22-11/h1-5H |
| InChIKey | BBMKNRKMALLWEU-UHFFFAOYSA-N |
| Mol Weight | 320.64 g/mol |
| Molecular Formula | C13H5ClN2O6 |
| Exact Mass | 319.983614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KAdRjJ2PnP |
|---|---|
| Name | 7-Chloro-2,4-dinitroxanthen-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.983613583 u |
| Formula | C13H5ClN2O6 |
| InChI | InChI=1S/C13H5ClN2O6/c14-6-1-2-11-8(3-6)12(17)9-4-7(15(18)19)5-10(16(20)21)13(9)22-11/h1-5H |
| InChIKey | BBMKNRKMALLWEU-UHFFFAOYSA-N |
| Molecular Weight | 320.644 g/mol |
| SMILES | C1(N(=O)=O)=C2OC3=CC=C(Cl)C=C3C(C2=CC(=C1)N(=O)=O)=O |