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O-BENZOYL-16;[S,(E)]-1-BROMOHEXA-1,5-DIEN-3-YL-BENZOATE
SpectraBase Compound ID KGiupg2sKPB
InChI InChI=1S/C13H13BrO2/c1-2-6-12(9-10-14)16-13(15)11-7-4-3-5-8-11/h2-5,7-10,12H,1,6H2/b10-9+/t12-/m0/s1
InChIKey AUHLATVGQTUAQV-VMPCVLLUSA-N
Mol Weight 281.15 g/mol
Molecular Formula C13H13BrO2
Exact Mass 280.009893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfxASyHuutB
Name O-BENZOYL-16;[S,(E)]-1-BROMOHEXA-1,5-DIEN-3-YL-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c1-2-6-12(9-10-14)16-13(15)11-7-4-3-5-8-11/h2-5,7-10,12H,1,6H2/b10-9+/t12-/m0/s1
InChIKey AUHLATVGQTUAQV-VMPCVLLUSA-N
Literature Reference Author S.B.KAMPTMANN,R.BRUECKNER
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6584(2013)
Literature Reference DOI 10.1002/ejoc.201300183
Molecular Weight 281.149 g/mol
Solvent CDCl3
Source File Reference UWBT18584