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(-)-1S,9S-9-Hydroxy-2,2,5,9-tetramethylbicyclo[6.3.0]undeca-4,7-dien-6-one
SpectraBase Compound ID J2Rwcg4Zzv1
InChI InChI=1S/C15H22O2/c1-10-5-7-14(2,3)11-6-8-15(4,17)12(11)9-13(10)16/h5,9,11,17H,6-8H2,1-4H3/b10-5-,12-9+/t11-,15+/m1/s1
InChIKey DALCJJKJCXNGKA-VATCCEEGSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Lcw2EB7Ar5
Name (-)-1S,9S-9-Hydroxy-2,2,5,9-tetramethylbicyclo[6.3.0]undeca-4,7-dien-6-one
Appearance Yellowish oil
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10-5-7-14(2,3)11-6-8-15(4,17)12(11)9-13(10)16/h5,9,11,17H,6-8H2,1-4H3/b10-5-,12-9+/t11-,15+/m1/s1
InChIKey DALCJJKJCXNGKA-VATCCEEGSA-N
Instrument Name Micromass Autospec Ultima ETOF
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np900213w
Molecular Weight 234.339 g/mol
Optical Rotation [a]D20 = -84.0 (c = 0.16, MeOH)
Reported Formula C15H22O2
SMILES O[C@@]1(\C=2[C@](C(C\C=C/(C(C/2)=O)C)(C)C)(CC1)[H])C
SPLASH splash10-0ab9-8910000000-fa95ac6a1d0477122aa3
Source of Spectrum G4-72-SM6-1
Wiley ID 1872233