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3-HYDROXY-3-PHENYL-2-BROMOPROPIONITRILE;MIXTURE_OF_DIASTEREOMERS
SpectraBase Compound ID CGQL20sZCyi
InChI InChI=1S/2C9H8BrNO/c2*10-8(6-11)9(12)7-4-2-1-3-5-7/h2*1-5,8-9,12H
InChIKey QYIBKMFCUPXXII-UHFFFAOYSA-N
Mol Weight 452.15 g/mol
Molecular Formula C18H16Br2N2O2
Exact Mass 449.957854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Yxlf4bL4V4
Name 3-HYDROXY-3-PHENYL-2-BROMOPROPIONITRILE;MIXTURE_OF_DIASTEREOMERS
Compound Number IX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16Br2N2O2
InChI InChI=1S/2C9H8BrNO/c2*10-8(6-11)9(12)7-4-2-1-3-5-7/h2*1-5,8-9,12H
InChIKey QYIBKMFCUPXXII-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 452.145 g/mol
Solvent CDCl3
Source File Reference UWMZ16545