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6,6-dimethyl-bicyclo[3.1.1]hepta-2,3-dione
SpectraBase Compound ID 61gxVh2QWKk
InChI InChI=1S/C9H12O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-6H,3-4H2,1-2H3
InChIKey QEZVNLZLSDOZRT-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6E9pcnJWfRU
Name 6,6-dimethyl-bicyclo[3.1.1]hepta-2,3-dione
Appearance Pale yellow crystals
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Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-6H,3-4H2,1-2H3
InChIKey QEZVNLZLSDOZRT-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 152.193 g/mol
Optical Rotation [a]D16 = +255.4 (c = 0.5, CHCl3)
SMILES C12C(C(CC(C2(C)C)C1)=O)=O
SPLASH splash10-053r-9100000000-01498b3c424e28232ed0
Source of Spectrum CN103086852A
Synonyms 2,3-pinedione
Wiley ID 1847230