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4-(2-keto-5,5-dimethyl-3-furyl)-2-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester
SpectraBase Compound ID BSBNL0ml7Qc
InChI InChI=1S/C16H20O4/c1-5-19-14(17)12-7-6-11(8-10(12)2)13-9-16(3,4)20-15(13)18/h8-9H,5-7H2,1-4H3
InChIKey MTUIFCUOBRAGSM-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90NZFL9LcM7
Name 4-(2-keto-5,5-dimethyl-3-furyl)-2-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester
Alternate Name(s) 4-(5,5-dimethyl-2-oxo-3-furanyl)-2-methyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester Ethyl 4-(5,5-dimethyl-2-oxidanylidene-furan-3-yl)-2-methyl-cyclohexa-1,3-diene-1-carboxylate Ethyl 4-(5,5-dimethyl-2-oxo-3-furyl)-2-methyl-cyclohexa-1,3-diene-1-carboxylate Ethyl 4-(5,5-dimethyl-2-oxofuran-3-yl)-2-methylcyclohexa-1,3-diene-1-carboxylate
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-5-19-14(17)12-7-6-11(8-10(12)2)13-9-16(3,4)20-15(13)18/h8-9H,5-7H2,1-4H3
InChIKey MTUIFCUOBRAGSM-UHFFFAOYSA-N
Molecular Weight 276.332 g/mol
SMILES C=1(C(OC(C1)(C)C)=O)C1=CC(C)=C(CC1)C(=O)OCC
SPLASH splash10-0udi-0090000000-8cb2b583bf68b70ba093
Source of Spectrum U1-1999-3312-11
Wiley ID 753519