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(2-(C-13))-4,4-DIMETHOXY-3-METHYL-BUT-2-ENE-1-NITRILE
SpectraBase Compound ID woaBpBASiu
InChI InChI=1S/C7H11NO2/c1-6(4-5-8)7(9-2)10-3/h4,7H,1-3H3/b6-4-/i4+1
InChIKey VCEORIKGLMGDRB-OTJBDTJQSA-N
Mol Weight 142.16 g/mol
Molecular Formula C613CH11NO2
Exact Mass 142.082333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZlRnIlfzHJ
Name (2-(C-13))-4,4-DIMETHOXY-3-METHYL-BUT-2-ENE-1-NITRILE
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C613CH11NO2
InChI InChI=1S/C7H11NO2/c1-6(4-5-8)7(9-2)10-3/h4,7H,1-3H3/b6-4-/i4+1
InChIKey VCEORIKGLMGDRB-OTJBDTJQSA-N
Literature Reference Author F.J.H.M.JANSEN,M.KWESTRO,D.SCHMITT,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,113,552(1994)
Literature Reference DOI 10.1002/recl.19941131205
Molecular Weight 142.162 g/mol
Solvent CDCl3
Source File Reference UWCH100