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

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4-(2-BROMO-1-HYDROXY-1-METHYLETHYL)-BENZONITRILE
SpectraBase Compound ID 9T85k0y3IoD
InChI InChI=1S/C10H10BrNO/c1-10(13,7-11)9-4-2-8(6-12)3-5-9/h2-5,13H,7H2,1H3
InChIKey HOSLGDZFVUKHCW-UHFFFAOYSA-N
Mol Weight 240.1 g/mol
Molecular Formula C10H10BrNO
Exact Mass 238.994577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClJ5q88wIqz
Name 4-(2-BROMO-1-HYDROXY-1-METHYLETHYL)-BENZONITRILE
Compound Number 94C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10BrNO
InChI InChI=1S/C10H10BrNO/c1-10(13,7-11)9-4-2-8(6-12)3-5-9/h2-5,13H,7H2,1H3
InChIKey HOSLGDZFVUKHCW-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 240.099 g/mol
Sample ID 54513
Solvent CDCl3