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ETHYL-(R,E)-5-HYDROXYOCT-2-ENOATE;MAJOR-ISOMER
SpectraBase Compound ID Y1Xc9xlCNH
InChI InChI=1S/C10H18O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h5,8-9,11H,3-4,6-7H2,1-2H3/b8-5+/t9-/m1/s1
InChIKey ARDMGCSKYPKQFS-WHXYTISESA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KI7z0KrnnrO
Name ETHYL-(R,E)-5-HYDROXYOCT-2-ENOATE;MAJOR-ISOMER
Compound Number 26A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h5,8-9,11H,3-4,6-7H2,1-2H3/b8-5+/t9-/m1/s1
InChIKey ARDMGCSKYPKQFS-WHXYTISESA-N
Literature Reference Author P.WALLESER,R.BRUECKNER
Literature Reference Citation EUR.J.ORG.CHEM.,2010,4802(2010)
Literature Reference DOI 10.1002/ejoc.201000280
Molecular Weight 186.251 g/mol
Solvent CDCl3
Source File Reference UWLU85994