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5-Acetoxy-3-(2'-hydroxy-2',6',6'-trimethylcyclohexyl)-4-isopropyl-2(3H)-benzofuran-2-one
SpectraBase Compound ID CwcbcwdJS2J
InChI InChI=1S/C22H30O5/c1-12(2)16-14(26-13(3)23)8-9-15-17(16)18(20(24)27-15)19-21(4,5)10-7-11-22(19,6)25/h8-9,12,18-19,25H,7,10-11H2,1-6H3/t18-,19?,22-/m0/s1
InChIKey QSCQIGKXBXJVDL-NOAQKIQUSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gos8VSr81MA
Name 5-ACETOXY-3-(2'-HYDROXY-2',6',6'-TRIMETHYLCYClOHEXYL)-4-ISOPROPYL-2(3H)-BENZOFURAN-2-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-12(2)16-14(26-13(3)23)8-9-15-17(16)18(20(24)27-15)19-21(4,5)10-7-11-22(19,6)25/h8-9,12,18-19,25H,7,10-11H2,1-6H3/t18-,19?,22-/m0/s1
InChIKey QSCQIGKXBXJVDL-NOAQKIQUSA-N
Literature Reference Author K.S.BECKETT,J.GBENDALL,R.C.CAMBIE,P.S.RUTLEDGE,M.F.WALKER,P. D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,50,933(1997)
Literature Reference DOI 10.1071/C96209
Molecular Weight 374.477 g/mol
Solvent Unknown
Source File Reference UWCS14843