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2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
SpectraBase Compound ID ET3TqBTGwov
InChI InChI=1S/C21H26O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17,19,24H,8-11H2,1-4H3
InChIKey BNCSYKIUCWOUQF-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T6ekCySK5t
Name 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(furan-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
Alternate Name(s) 2-[2-furanyl-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[2-furyl-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[2-furyl-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[furan-2-yl-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
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Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17,19,24H,8-11H2,1-4H3
InChIKey BNCSYKIUCWOUQF-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES OC1=C(C(C2C(CC(CC2=O)(C)C)=O)c2occc2)C(CC(C)(C)C1)=O
SPLASH splash10-053u-9310000000-a7aa4a9f7fd74ed2047a
Wiley ID 1453537