| SpectraBase Compound ID | jOUYfdvZis |
|---|---|
| InChI | InChI=1S/C12H7ClO2/c13-10-7-11(14)9(6-12(10)15)8-4-2-1-3-5-8/h1-7H |
| InChIKey | IXHICAABNXHFRI-UHFFFAOYSA-N |
| Mol Weight | 218.64 g/mol |
| Molecular Formula | C12H7ClO2 |
| Exact Mass | 218.013457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFgsDrcAXIi |
|---|---|
| Name | 2-Chloro-5-methylbenzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.013457163 u |
| Formula | C12H7ClO2 |
| InChI | InChI=1S/C12H7ClO2/c13-10-7-11(14)9(6-12(10)15)8-4-2-1-3-5-8/h1-7H |
| InChIKey | IXHICAABNXHFRI-UHFFFAOYSA-N |
| Molecular Weight | 218.639 g/mol |
| SMILES | C1(=CC(=O)C(=CC1=O)Cl)c1ccccc1 |