SpectraBase Compound ID | FXk85Z3bdjx |
---|---|
InChI | InChI=1S/C14H12O6/c1-2-3-8(16)11-13(19)10-7(12(18)14(11)20)4-6(15)5-9(10)17/h4-5,15,17,20H,2-3H2,1H3 |
InChIKey | JRRIGBUEMIKNFG-UHFFFAOYSA-N |
Mol Weight | 276.24 g/mol |
Molecular Formula | C14H12O6 |
Exact Mass | 276.063388 g/mol |
SpectraBase Spectrum ID | K8GkUHEiu8U |
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Name | 2-Butanoyl-3,6,8-trihydroxy-1,4-naphthoquinone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 276.063388100 u |
Formula | C14H12O6 |
InChI | InChI=1S/C14H12O6/c1-2-3-8(16)11-13(19)10-7(12(18)14(11)20)4-6(15)5-9(10)17/h4-5,15,17,20H,2-3H2,1H3 |
InChIKey | JRRIGBUEMIKNFG-UHFFFAOYSA-N |
Molecular Weight | 276.244 g/mol |
SMILES | C1(C(=C(C(C=2C=C(C=C(C12)O)O)=O)O)C(CCC)=O)=O |