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2-Butanoyl-3,6,8-trihydroxy-1,4-naphthoquinone
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8GkUHEiu8U
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