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(+/-)-TRANS-2-(6'-CARBOMETHYLHEXYL)-3-(E-1''-OCTENYL)-4-HYDROXY-CYCLOPENTANONE
SpectraBase Compound ID CBFbUhLDXIK
InChI InChI=1S/C21H36O4/c1-3-4-5-6-7-10-13-17-18(20(23)16-19(17)22)14-11-8-9-12-15-21(24)25-2/h10,13,17-19,22H,3-9,11-12,14-16H2,1-2H3/b13-10+
InChIKey FJSWTOZMCQEAAU-JLHYYAGUSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wb1DvhbeLw
Name (+/-)-TRANS-2-(6'-CARBOMETHYLHEXYL)-3-(E-1''-OCTENYL)-4-HYDROXY-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-3-4-5-6-7-10-13-17-18(20(23)16-19(17)22)14-11-8-9-12-15-21(24)25-2/h10,13,17-19,22H,3-9,11-12,14-16H2,1-2H3/b13-10+
InChIKey FJSWTOZMCQEAAU-JLHYYAGUSA-N
Literature Reference Author H.L.HOLLAND,F.M.BROWN,P.C.CHENCHAIAH,J.A.RAO
Literature Reference Citation CAN.J.CHEM.,68,282(1990)
Literature Reference DOI 10.1139/v90-039
Molecular Weight 352.514 g/mol
Solvent CDCl3
Source File Reference UWED15060