| SpectraBase Compound ID | FQntW4gcSat |
|---|---|
| InChI | InChI=1S/C12H7ClO4/c1-5(14)6-2-3-7-9(15)4-8(13)12(17)10(7)11(6)16/h2-4,16H,1H3 |
| InChIKey | NCFZVSCZCOYIBC-UHFFFAOYSA-N |
| Mol Weight | 250.64 g/mol |
| Molecular Formula | C12H7ClO4 |
| Exact Mass | 250.003286 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZlgMIion4p |
|---|---|
| Name | 6-Acetyl-3-chlorojuglone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7ClO4 |
| InChI | InChI=1S/C12H7ClO4/c1-5(14)6-2-3-7-9(15)4-8(13)12(17)10(7)11(6)16/h2-4,16H,1H3 |
| InChIKey | NCFZVSCZCOYIBC-UHFFFAOYSA-N |
| Molecular Weight | 250.637 g/mol |
| SMILES | Oc1c2C(C(Cl)=CC(c2ccc1C(=O)C)=O)=O |
| SPLASH | splash10-000i-0090000000-c7f5bbcd65a3a18d8b59 |
| Source of Spectrum | SO-0-707-11 |
| Wiley ID | 1544955 |