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METHYL_2,4-DICYANO-3-HYDROXYPENT-2-ENOATE
SpectraBase Compound ID 7qjtPcWcDcc
InChI InChI=1S/C8H8N2O3/c1-5(3-9)7(11)6(4-10)8(12)13-2/h5,11H,1-2H3/b7-6-
InChIKey HYTHATMRWYGUGI-SREVYHEPSA-N
Mol Weight 180.16 g/mol
Molecular Formula C8H8N2O3
Exact Mass 180.053492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEuG0eIq4C6
Name METHYL_2,4-DICYANO-3-HYDROXYPENT-2-ENOATE
Compound Number 3 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8N2O3
InChI InChI=1S/C8H8N2O3/c1-5(3-9)7(11)6(4-10)8(12)13-2/h5,11H,1-2H3/b7-6-
InChIKey HYTHATMRWYGUGI-SREVYHEPSA-N
Literature Reference Author S.R.BAKER,M.L.F.CADMAN,L.CROMBIE,D.A.V.EDWARDS,J.MISTRY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2705(1996)
Literature Reference DOI 10.1039/p19960002705
Molecular Weight 180.163 g/mol
Solvent CDCl3
Source File Reference UWMZ3251