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3-OXO-2-(4-METHYLPHENYL)-BUTANENITRILE;ALPHA-(4-METHYLPHENYL)-ACETOACETONITRILE;4-ME-APAAN
SpectraBase Compound ID 7OwVkez6KOP
InChI InChI=1S/C11H11NO/c1-8-3-5-10(6-4-8)11(7-12)9(2)13/h3-6,11H,1-2H3
InChIKey QWWANUDFLOXOCB-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C11H11NO
Exact Mass 173.084064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ae0wYn2Fzfl
Name 3-OXO-2-(4-METHYLPHENYL)-BUTANENITRILE;ALPHA-(4-METHYLPHENYL)-ACETOACETONITRILE;4-ME-APAAN
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NO
InChI InChI=1S/C11H11NO/c1-8-3-5-10(6-4-8)11(7-12)9(2)13/h3-6,11H,1-2H3
InChIKey QWWANUDFLOXOCB-UHFFFAOYSA-N
Literature Reference Author J.D.POWER,K.CLARKE,S.D.MCDERMOTT,P.MCGLYNN,M.BARRY,C.WHITE,J .OBRIEN,P.KAVANAGH
Literature Reference Citation FOR.SCI.INT.,228,115(2013)
Literature Reference DOI 10.1016/j.forsciint.2013.02.039
Molecular Weight 173.214 g/mol
Source File Reference UWLU75038