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3-METHYL-4-OXO-BUTYRONITRILE
SpectraBase Compound ID C7FoeOT6EuZ
InChI InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h4-5H,2H2,1H3/t5-/m1/s1
InChIKey GSDBCUROWGFXAT-RXMQYKEDSA-N
Mol Weight 97.12 g/mol
Molecular Formula C5H7NO
Exact Mass 97.052764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75m2fNBsL7R
Name 3-METHYL-4-OXO-BUTYRONITRILE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H7NO
InChI InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h4-5H,2H2,1H3/t5-/m1/s1
InChIKey GSDBCUROWGFXAT-RXMQYKEDSA-N
Literature Reference Author C.J.COBLEY,K.GARDNER,C.PRAQUIN,C.HILL,G.T.WHITEKER,A.ZANOTTI -GEROSA,J.L.PETERSEN
Literature Reference Citation J.ORG.CHEM.,69,4031(2004)
Literature Reference DOI 10.1021/jo040128p
Molecular Weight 97.117 g/mol
Solvent CDCl3
Source File Reference UWVN21437