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3,3-DIMETHYL-2-[2-(4-HYDROXY-2-HYDROXYMETHYL-5-ISOPROPYLPHENYL)-ETHYL]-CYClOHEXANONE
SpectraBase Compound ID 7E3XJX6VTt9
InChI InChI=1S/C20H30O3/c1-13(2)16-10-14(15(12-21)11-19(16)23)7-8-17-18(22)6-5-9-20(17,3)4/h10-11,13,17,21,23H,5-9,12H2,1-4H3/t17-/m0/s1
InChIKey KZHJIAYWXIXBNX-KRWDZBQOSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cZUQC6WBH8
Name 3,3-DIMETHYL-2-[2-(4-HYDROXY-2-HYDROXYMETHYL-5-ISOPROPYLPHENYL)-ETHYL]-CYClOHEXANONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(2)16-10-14(15(12-21)11-19(16)23)7-8-17-18(22)6-5-9-20(17,3)4/h10-11,13,17,21,23H,5-9,12H2,1-4H3/t17-/m0/s1
InChIKey KZHJIAYWXIXBNX-KRWDZBQOSA-N
Literature Reference Author K.C.HSU,J.M.FANG,Y.S.CHENG
Literature Reference Citation J.NAT.PROD.,58,1592(1995)
Literature Reference DOI 10.1021/np50124a019
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWGE2076