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1-(3,4-METHYLENEDIOXYPHENYL)-2,2-DIBROMOBUTAN-1-ONE
SpectraBase Compound ID BH0Y5LSZmhl
InChI InChI=1S/C11H10Br2O3/c1-2-11(12,13)10(14)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3
InChIKey ZKSSHXGWOHYSFU-UHFFFAOYSA-N
Mol Weight 350.01 g/mol
Molecular Formula C11H10Br2O3
Exact Mass 347.89967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjSgPhxuWtG
Name 1-(3,4-METHYLENEDIOXYPHENYL)-2,2-DIBROMOBUTAN-1-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10Br2O3
InChI InChI=1S/C11H10Br2O3/c1-2-11(12,13)10(14)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3
InChIKey ZKSSHXGWOHYSFU-UHFFFAOYSA-N
Literature Reference Author S.D.BRANDT,S.FREEMAN,H.R.SUMNALL,F.MEASHAM,J.COLE
Literature Reference Citation DRUG.TEST.ANAL.,3,569(2011)
Literature Reference DOI 10.1002/dta.204
Molecular Weight 350.007 g/mol
Sample ID 72230
Solvent CDCl3