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4-(4-keto-1-methyl-butyl)benzonitrile

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4-(4-keto-1-methyl-butyl)benzonitrile
SpectraBase Compound ID 5r8dyyMsJ0u
InChI InChI=1S/C12H13NO/c1-10(3-2-8-14)12-6-4-11(9-13)5-7-12/h4-8,10H,2-3H2,1H3
InChIKey NEVKVMHOIVCVGK-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cwb0iM4B76l
Name 4-(4-keto-1-methyl-butyl)benzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-10(3-2-8-14)12-6-4-11(9-13)5-7-12/h4-8,10H,2-3H2,1H3
InChIKey NEVKVMHOIVCVGK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 187.241 g/mol
Source File Reference MHKO3871