| SpectraBase Compound ID | 12PCJq8cPiZ |
|---|---|
| InChI | InChI=1S/C11H6Cl2O5/c1-2-7(14)3-4(11(18)8(2)15)10(17)6(13)5(12)9(3)16/h15-17H,1H3 |
| InChIKey | LGTPFUFUFYEBOC-UHFFFAOYSA-N |
| Mol Weight | 289.07 g/mol |
| Molecular Formula | C11H6Cl2O5 |
| Exact Mass | 287.959229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 705UDNRbt9K |
|---|---|
| Name | 6,7-Dichloro-2,5,8-trihydroxy-3-methyl-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.959228688 u |
| Formula | C11H6Cl2O5 |
| InChI | InChI=1S/C11H6Cl2O5/c1-2-7(14)3-4(11(18)8(2)15)10(17)6(13)5(12)9(3)16/h15-17H,1H3 |
| InChIKey | LGTPFUFUFYEBOC-UHFFFAOYSA-N |
| SMILES | C12=C(C(=O)C(=C(C2=O)C)O)C(O)=C(C(=C1O)Cl)Cl |