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(3Z,5E)-1-(Acetoxy)-8-bromo-4,7-dichloro-3,7-dimethylocta-3,5-diene
SpectraBase Compound ID 4X80jM8mujm
InChI InChI=1S/C12H17BrCl2O2/c1-9(5-7-17-10(2)16)11(14)4-6-12(3,15)8-13/h4,6H,5,7-8H2,1-3H3/b6-4+,11-9-
InChIKey CLBWWJUVFJDYMJ-ZVPURADCSA-N
Mol Weight 344.08 g/mol
Molecular Formula C12H17BrCl2O2
Exact Mass 341.978898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUjIEtJRSNn
Name (3Z,5E)-1-ACETOXY-8-BrOMO-4,7-DICHLORO-3,7-DIMETHYLOCTA-3,5-DIENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17BrCl2O2
InChI InChI=1S/C12H17BrCl2O2/c1-9(5-7-17-10(2)16)11(14)4-6-12(3,15)8-13/h4,6H,5,7-8H2,1-3H3/b6-4+,11-9-
InChIKey CLBWWJUVFJDYMJ-ZVPURADCSA-N
Literature Reference Author M.J.ORTEGA,E.ZUBIA,J.SALVA
Literature Reference Citation J.NAT.PROD.,60,482(1997)
Literature Reference DOI 10.1021/np960744j
Molecular Weight 344.076 g/mol
Solvent CDCl3
Source File Reference UWKP212