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(E,2R,3S)-3-hydroxy-2-methyl-hex-4-enoic acid methyl ester
SpectraBase Compound ID DeMXfq6Rn9J
InChI InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+/t6-,7+/m1/s1
InChIKey JEHGEKPSUMDBCP-ZVCMNORXSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8EqZ5xUTZP
Name (E,2R,3S)-3-hydroxy-2-methyl-hex-4-enoic acid methyl ester
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+/t6-,7+/m1/s1
InChIKey JEHGEKPSUMDBCP-ZVCMNORXSA-N
Literature Reference Author H.HELMBOLDT,D.KOEHLER,M.HIERSEMANN
Literature Reference Citation ORG.LETTERS,8,1573(2006)
Literature Reference DOI 10.1021/ol060115t
Molecular Weight 158.197 g/mol
Sample ID 58960
Solvent CDCl3