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3-HYDROXY-3-PHENYL-2-METHYLPROPIONITRILE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID JuLU1iB4ZI9
InChI InChI=1S/2C10H11NO/c2*1-8(7-11)10(12)9-5-3-2-4-6-9/h2*2-6,8,10,12H,1H3
InChIKey GXNOCMQOTVKYIQ-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RgloyvJ8Ad
Name 3-HYDROXY-3-PHENYL-2-METHYLPROPIONITRILE;MIXTURE_OF_ISOMERS
Compound Number XI V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O2
InChI InChI=1S/2C10H11NO/c2*1-8(7-11)10(12)9-5-3-2-4-6-9/h2*2-6,8,10,12H,1H3
InChIKey GXNOCMQOTVKYIQ-UHFFFAOYSA-N
Literature Reference Author T.T.VASILEVA,N.A.KUZMINA,O.V.CHAKHOVSKAYA,N.E.MYSOVA,A.B.TER ENTEV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,174(2004)
Literature Reference DOI 10.1023/B:RUJO.0000034937.39138.2a
Molecular Weight 322.407 g/mol
Solvent CDCl3
Source File Reference UWMZ16548