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6-Acetoxy-7,7-dimethylcyclohepta-2,4-dien-1-one
SpectraBase Compound ID 1CJckJnnlj1
InChI InChI=1S/C11H14O3/c1-8(12)14-10-7-5-4-6-9(13)11(10,2)3/h4-7,10H,1-3H3/t10-/m0/s1
InChIKey POXJIIGYBGDJID-JTQLQIEISA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Isd2TORUFYZ
Name 6-Acetoxy-7,7-dimethylcyclohepta-2,4-dien-1-one
Alternate Name(s) (S)-6-Acetoxy-7,7-dimethylcyclohepta-2,4-dien-1-one 7,7-Dimethyl-6-oxo-2,4-cycloheptadien-1-yl acetate
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Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-8(12)14-10-7-5-4-6-9(13)11(10,2)3/h4-7,10H,1-3H3/t10-/m0/s1
InChIKey POXJIIGYBGDJID-JTQLQIEISA-N
Molecular Weight 194.230 g/mol
SMILES C1([C@@](OC(=O)C)(C=CC=CC1=O)[H])(C)C
SPLASH splash10-0knl-3900000000-148d63dc288d4f11f2e7
Source of Spectrum AT-33-3468-5
Wiley ID 836245