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1-(3,4-METHYLENEDIOXYPHENYL)-2,2-DIBROMOPENTAN-1-ONE
SpectraBase Compound ID BtEt0t427jf
InChI InChI=1S/C12H12Br2O3/c1-2-5-12(13,14)11(15)8-3-4-9-10(6-8)17-7-16-9/h3-4,6H,2,5,7H2,1H3
InChIKey KPTSRTPXPVLIAJ-UHFFFAOYSA-N
Mol Weight 364.03 g/mol
Molecular Formula C12H12Br2O3
Exact Mass 361.91532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gl8pl0lri1y
Name 1-(3,4-METHYLENEDIOXYPHENYL)-2,2-DIBROMOPENTAN-1-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12Br2O3
InChI InChI=1S/C12H12Br2O3/c1-2-5-12(13,14)11(15)8-3-4-9-10(6-8)17-7-16-9/h3-4,6H,2,5,7H2,1H3
InChIKey KPTSRTPXPVLIAJ-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 364.033 g/mol
Sample ID 72231
Solvent CDCl3