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4-isobutyrylbenzonitrile

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4-isobutyrylbenzonitrile
SpectraBase Compound ID D6Tg76y3sPY
InChI InChI=1S/C11H11NO/c1-8(2)11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3
InChIKey IJQQLTRUDWNWRQ-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 kDKv8Ajh9C
Name 4-isobutyrylbenzonitrile
Compound Number 31
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NO
InChI InChI=1S/C11H11NO/c1-8(2)11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3
InChIKey IJQQLTRUDWNWRQ-UHFFFAOYSA-N
Literature Reference Author K.MCMAHON,D.R.ARNOLD
Literature Reference Citation CAN.J.CHEM.,71,450(1993)
Literature Reference DOI 10.1139/v93-066
Molecular Weight 173.214 g/mol
Solvent CDCl3
Source File Reference UWVP4893