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4-(2-HYDROXY-1-METHYLETHYL)-BENZONITRILE

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4-(2-HYDROXY-1-METHYLETHYL)-BENZONITRILE
SpectraBase Compound ID Hza5ewClgK6
InChI InChI=1S/C10H11NO/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,8,12H,7H2,1H3
InChIKey PYSHEDAHHPFZOG-UHFFFAOYSA-N
Mol Weight 161.2 g/mol
Molecular Formula C10H11NO
Exact Mass 161.084064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7xgx7D2MhS
Name 4-(2-HYDROXY-1-METHYLETHYL)-BENZONITRILE
Compound Number 96 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11NO
InChI InChI=1S/C10H11NO/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,8,12H,7H2,1H3
InChIKey PYSHEDAHHPFZOG-UHFFFAOYSA-N
Literature Reference Author A.L.J.BECKWITH,P.J.DUGGAN
Literature Reference Citation J.AM.CHEM.SOC.,118,12838(1996)
Literature Reference DOI 10.1021/ja963153o
Molecular Weight 161.203 g/mol
Sample ID 54517
Solvent CDCl3