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ARISTELEGONE-A
SpectraBase Compound ID HjpK94DubPV
InChI InChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1
InChIKey BYOIVWRPJQKGMQ-SSDOTTSWSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTfGLhifMBz
Name (R)-6-hydroxy-4,7-dimethyltetral-1-one
Alternate Name(s) Aristelegone-A
Appearance Colorless needles
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Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1
InChIKey BYOIVWRPJQKGMQ-SSDOTTSWSA-N
Instrument Name VG 70-250 S
Ionization Type EI
Literature Reference DOI 10.1021/np020218u
Molecular Weight 190.242 g/mol
Optical Rotation [a]D25 = +15.4 (c = 0.24, CHCl3)
Reported Formula C12H14O2
SMILES Oc1cc2c(cc1C)C(CC[C@]2(C)[H])=O
SPLASH splash10-01ox-0900000000-e8b6651cc4ed5ab9bb84
Source of Spectrum G4-65-1524-1
Wiley ID 1883498