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(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
SpectraBase Compound ID FJnkSHBQRWz
InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1
InChIKey QDNOAZOXGLUUEB-CHWSQXEVSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63dE898Ofu8
Name (3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
Alternate Name(s) (3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-tetralin-1-one (3R,4R)-4-ethanoyl-3-methyl-3,6,8-tris(oxidanyl)-2,4-dihydronaphthalen-1-one
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1
InChIKey QDNOAZOXGLUUEB-CHWSQXEVSA-N
Molecular Weight 250.250 g/mol
SMILES O[C@]1([C@@](c2c(c(cc(c2)O)O)C(C1)=O)(C(=O)C)[H])C
SPLASH splash10-001l-0690000000-1a649f38220558f16abc
Source of Spectrum G4-63-317-4
Wiley ID 1608250