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

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3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carboxylic acid
SpectraBase Compound ID DxGtSdsZYGC
InChI InChI=1S/C15H21BrO3/c1-13(2,3)10-7-9(12(18)19)8-15(16,11(10)17)14(4,5)6/h7-8H,1-6H3,(H,18,19)
InChIKey NQSJDVOVANWVIX-UHFFFAOYSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H21BrO3
Exact Mass 328.067408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ADDcLg4Kx7
Name 3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carboxylic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21BrO3
InChI InChI=1S/C15H21BrO3/c1-13(2,3)10-7-9(12(18)19)8-15(16,11(10)17)14(4,5)6/h7-8H,1-6H3,(H,18,19)
InChIKey NQSJDVOVANWVIX-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 329.234 g/mol
Source File Reference MHKO5329