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4-BROMO-4-ACETOXYMETHYL-2,3,5,6-TETRAMETHYLCYCLOHEXADIEN-2,5-ONE,PROTONATED
SpectraBase Compound ID 9J5IfmPLjEQ
InChI InChI=1S/C13H17BrO3/c1-7-9(3)13(14,6-17-11(5)15)10(4)8(2)12(7)16/h6H2,1-5H3/p+1
InChIKey QAXCFBNVNXTORS-UHFFFAOYSA-O
Mol Weight 302.19 g/mol
Molecular Formula C13H18BrO3
Exact Mass 301.043932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YPu9LNlEmH
Name 4-BROMO-4-ACETOXYMETHYL-2,3,5,6-TETRAMETHYLCYCLOHEXADIEN-2,5-ONE,PROTONATED
Comments CK
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18BrO3
InChI InChI=1S/C13H17BrO3/c1-7-9(3)13(14,6-17-11(5)15)10(4)8(2)12(7)16/h6H2,1-5H3/p+1
InChIKey QAXCFBNVNXTORS-UHFFFAOYSA-O
Instrument Name Bruker HX-90
Literature Reference N.V.LYUKSHOVA, A.P.KRYSIN, V.A.KOPTYUG (1975) Izv.Sibir.Otdel.Akad.NaukSer.Khim.(Russ. Lang.): N5, 73-80.
NMR Standard CF3COOH
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH trifluoroace