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3-ALPHA,4-BETA-DIHYDROXY-6-OXO-1-CYClOHEXENE-1-ACETONITRILE
SpectraBase Compound ID E8Bfgnw5g3N
InChI InChI=1S/C8H9NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3,7-8,11-12H,1,4H2/t7-,8-/m1/s1
InChIKey SGNMKYZAUDWHLS-HTQZYQBOSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8D2gNmqK0lb
Name 3-ALPHA,4-BETA-DIHYDROXY-6-OXO-1-CYClOHEXENE-1-ACETONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3,7-8,11-12H,1,4H2/t7-,8-/m1/s1
InChIKey SGNMKYZAUDWHLS-HTQZYQBOSA-N
Literature Reference Author S.CHEN,G.GAO,Y.LI,S.YU,P.XIAO
Literature Reference Citation PLANTA.MED.,68,554(2002)
Literature Reference DOI 10.1055/s-2002-32555
Molecular Weight 167.164 g/mol
Solvent CDCl3
Source File Reference UIAP1770