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METHYL-(2RS,3RS)-3-HYDROXY-2,5-DIMETHYL-HEX-4-ENOATE
SpectraBase Compound ID 5nLLJAfHyzt
InChI InChI=1S/C9H16O3/c1-6(2)5-8(10)7(3)9(11)12-4/h5,7-8,10H,1-4H3/t7-,8?/m1/s1
InChIKey JKOXZTHLNMVLEE-GVHYBUMESA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCaEKIWzapI
Name METHYL-(2RS,3RS)-3-HYDROXY-2,5-DIMETHYL-HEX-4-ENOATE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)5-8(10)7(3)9(11)12-4/h5,7-8,10H,1-4H3/t7-,8?/m1/s1
InChIKey JKOXZTHLNMVLEE-GVHYBUMESA-N
Literature Reference Author D.BUR,M.NIKLES,U.SEQUIN,M.NEUBURGER,M.ZEHNDER
Literature Reference Citation HELV.CHIM.ACTA,76,1863(1993)
Literature Reference DOI 10.1002/hlca.19930760506
Molecular Weight 172.224 g/mol
Solvent CDCl3
Source File Reference UWRK675