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3-(2-HYDROXY-4,4-DIMETHYL-6-OXOCYCLOHEXEN-1-YL)-ISOBENZOFURAN-1(3H)-ONE
SpectraBase Compound ID D5rhhFlFO7Y
InChI InChI=1S/C16H16O4/c1-16(2)7-11(17)13(12(18)8-16)14-9-5-3-4-6-10(9)15(19)20-14/h3-6,14,17H,7-8H2,1-2H3
InChIKey FPKJTAHGXYLASC-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDDhtPOr5Ns
Name 3-(2-HYDROXY-4,4-DIMETHYL-6-OXOCYCLOHEXEN-1-YL)-ISOBENZOFURAN-1(3H)-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-16(2)7-11(17)13(12(18)8-16)14-9-5-3-4-6-10(9)15(19)20-14/h3-6,14,17H,7-8H2,1-2H3
InChIKey FPKJTAHGXYLASC-UHFFFAOYSA-N
Literature Reference Author R.R.TEIXEIRA,G.C.BRESSAN,W.L.PEREIRA,J.G.FERREIRA,F.M.D.OLIV EIRA,D.C.THOMAZ
Literature Reference Citation MOLECULES,18,1881(2013)
Literature Reference DOI 10.3390/molecules18021881
Molecular Weight 272.301 g/mol
Solvent CD3OD
Source File Reference UWBT8786