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SHINANOLONE
SpectraBase Compound ID IRubZzeLGmc
InChI InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m0/s1
InChIKey JOCZVRFSKAUXRP-QMMMGPOBSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LQN2QHoG35
Name 4S,8-Dihydroxy-6-methyl-1-tetralone
Alternate Name(s) (4S)-Shinanolone
Appearance Pale yellowish powder
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Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m0/s1
InChIKey JOCZVRFSKAUXRP-QMMMGPOBSA-N
Instrument Name JEOL GC-mate II
Ionization Type EI
Literature Reference DOI 10.1021/np040027m
Molecular Weight 192.214 g/mol
Optical Rotation [a]25 = +21 (546nm), [a]25 = +34 (436nm), [a]25 = +29 (365nm) (c = 0.1, MeOH)
Reported Formula C11H12O3
SMILES O[C@]1(CCC(c2c1cc(cc2O)C)=O)[H]
SPLASH splash10-000l-0900000000-909728dea22c9d61af0c
Source of Spectrum G4-67-1160-5
Wiley ID 1881845