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3,6-Dihydroxy-3-methyl-1,2,3,4-tetrahydrobenz[a]anthracene-1,7,12-trione
SpectraBase Compound ID 4X0cVkXOINm
InChI InChI=1S/C19H14O5/c1-19(24)7-9-6-12(20)15-16(14(9)13(21)8-19)18(23)11-5-3-2-4-10(11)17(15)22/h2-6,20,24H,7-8H2,1H3
InChIKey OOVQBXXJIZEYPD-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C19H14O5
Exact Mass 322.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKR92MwlqAI
Name 3,6-Dihydroxy-3-methyl-1,2,3,4-tetrahydrobenz[A]anthracene-1,7,12-trione
Comments Computed using HOSE algorithm
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Exact Mass 322.084123546 u
Formula C19H14O5
InChI InChI=1S/C19H14O5/c1-19(24)7-9-6-12(20)15-16(14(9)13(21)8-19)18(23)11-5-3-2-4-10(11)17(15)22/h2-6,20,24H,7-8H2,1H3
InChIKey OOVQBXXJIZEYPD-UHFFFAOYSA-N
Molecular Weight 322.316 g/mol
SMILES C=12C(=CC(=C3C(C=4C=CC=CC4C(C13)=O)=O)O)CC(CC2=O)(C)O