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ETHYL-(S,E)-5-HYDROXY-6-METHYLHEPT-2-ENOATE;MAJOR-ISOMER
SpectraBase Compound ID 1UqKgcZaGaL
InChI InChI=1S/C10H18O3/c1-4-13-10(12)7-5-6-9(11)8(2)3/h5,7-9,11H,4,6H2,1-3H3/b7-5+/t9-/m0/s1
InChIKey KBYAFYLETAZNOH-IWGCBNPKSA-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 71Grey34gEE
Name ETHYL-(S,E)-5-HYDROXY-6-METHYLHEPT-2-ENOATE;MAJOR-ISOMER
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-13-10(12)7-5-6-9(11)8(2)3/h5,7-9,11H,4,6H2,1-3H3/b7-5+/t9-/m0/s1
InChIKey KBYAFYLETAZNOH-IWGCBNPKSA-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 UWLU85995