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(2S)-2-ACETOXY-5-METHYL-4-HEXENENITRILE
SpectraBase Compound ID GlO419lXOxD
InChI InChI=1S/C9H13NO2/c1-7(2)4-5-9(6-10)12-8(3)11/h4,9H,5H2,1-3H3/t9-/m0/s1
InChIKey IOWQJPPGLCDRET-VIFPVBQESA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ID7UfISZ06
Name (2S)-2-ACETOXY-5-METHYL-4-HEXENENITRILE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-7(2)4-5-9(6-10)12-8(3)11/h4,9H,5H2,1-3H3/t9-/m0/s1
InChIKey IOWQJPPGLCDRET-VIFPVBQESA-N
Literature Reference Author D.J.VUGTS,L.VEUM,K.AL-MAFRAJI,R.LEMMENS,R.F.SCHMITZ,F.J.J.D. KANTER,M.B.GROEN,U.
Literature Reference Citation EUR.J.ORG.CHEM.,1672(2006)
Molecular Weight 167.208 g/mol
Sample ID 43456
Solvent CDCl3