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2-(6'-CARBOMETHOXYHEXYL)-3-(E-1''-OCTEN-7''-OLYL)-CYCLOPENTANONE
SpectraBase Compound ID 2ufItlqWXPk
InChI InChI=1S/C21H36O4/c1-17(22)11-7-3-4-8-12-18-15-16-20(23)19(18)13-9-5-6-10-14-21(24)25-2/h8,12,17-19,22H,3-7,9-11,13-16H2,1-2H3/b12-8+/t17-,18-,19+/m1/s1
InChIKey BHJHGBLXRBIYEW-AKHLUCIFSA-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 1plzxSSNOwP
Name 2-(6'-CARBOMETHOXYHEXYL)-3-(E-1''-OCTEN-7''-OLYL)-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-17(22)11-7-3-4-8-12-18-15-16-20(23)19(18)13-9-5-6-10-14-21(24)25-2/h8,12,17-19,22H,3-7,9-11,13-16H2,1-2H3/b12-8+/t17-,18-,19+/m1/s1
InChIKey BHJHGBLXRBIYEW-AKHLUCIFSA-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 UWED15056