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3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carbonitrile

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3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carbonitrile
SpectraBase Compound ID Dpegm51ViLR
InChI InChI=1S/C15H20BrNO/c1-13(2,3)11-7-10(9-17)8-15(16,12(11)18)14(4,5)6/h7-8H,1-6H3
InChIKey GAXAVUDWJGABHX-UHFFFAOYSA-N
Mol Weight 310.24 g/mol
Molecular Formula C15H20BrNO
Exact Mass 309.072827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsmsRoGcbRG
Name 3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carbonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20BrNO
InChI InChI=1S/C15H20BrNO/c1-13(2,3)11-7-10(9-17)8-15(16,12(11)18)14(4,5)6/h7-8H,1-6H3
InChIKey GAXAVUDWJGABHX-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 310.234 g/mol
Source File Reference MHKO5330