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APAKAOCHTODENE-B;6(S*)-BROMO-1,4(S*),8(R*)-TRICHLORO-2(E)-OCHTODENE;E-ISOMER;O-SECUNDIRAMEA
SpectraBase Compound ID EWJp0g3yAJE
InChI InChI=1S/C10H14BrCl3/c1-10(2)8(11)5-7(13)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+/t7-,8-,9-/m0/s1
InChIKey WMQLQCCLGFMTKH-AFEQIJMISA-N
Mol Weight 320.49 g/mol
Molecular Formula C10H14BrCl3
Exact Mass 317.934447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMYU3WnZdg1
Name APAKAOCHTODENE-B;6(S*)-BROMO-1,4(S*),8(R*)-TRICHLORO-2(E)-OCHTODENE;E-ISOMER;P-HORNEMANNII
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14BrCl3
InChI InChI=1S/C10H14BrCl3/c1-10(2)8(11)5-7(13)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+/t7-,8-,9-/m0/s1
InChIKey WMQLQCCLGFMTKH-AFEQIJMISA-N
Literature Reference Author L.F.BARAHONA,G.L.RORRER
Literature Reference Citation J.NAT.PROD.,66,743(2003)
Literature Reference DOI 10.1021/np0206007
Molecular Weight 320.484 g/mol
Solvent CDCl3
Source File Reference UWSI7824