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(3E,6S*,7R*,9S*,10S*,12R*)-9-CHLORO-13-BROMO-6:12-EPOXY-7,10-DIACETOXYPENTADEC-3-EN-1-YNE
SpectraBase Compound ID Itjn1nJTz7k
InChI InChI=1S/C19H26BrClO5/c1-5-7-8-9-16-19(25-13(4)23)10-15(21)18(24-12(3)22)11-17(26-16)14(20)6-2/h1,7-8,14-19H,6,9-11H2,2-4H3/b8-7+/t14?,15-,16-,17+,18-,19+/m0/s1
InChIKey IZUAHIQVPWUNPB-DFPATCKXSA-N
Mol Weight 449.77 g/mol
Molecular Formula C19H26BrClO5
Exact Mass 448.065215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbV0ZhxCURr
Name (3E,6S*,7R*,9S*,10S*,12R*)-9-CHLORO-13-BROMO-6:12-EPOXY-7,10-DIACETOXYPENTADEC-3-EN-1-YNE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26BrClO5
InChI InChI=1S/C19H26BrClO5/c1-5-7-8-9-16-19(25-13(4)23)10-15(21)18(24-12(3)22)11-17(26-16)14(20)6-2/h1,7-8,14-19H,6,9-11H2,2-4H3/b8-7+/t14?,15-,16-,17+,18-,19+/m0/s1
InChIKey IZUAHIQVPWUNPB-DFPATCKXSA-N
Literature Reference Author D.ILIOPOULOU,C.VAGIAS,C.HARVALA,V.ROUSSIS
Literature Reference Citation PHYTOCHEM.,59,111(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00407-1
Molecular Weight 449.769 g/mol
Solvent CDCl3
Source File Reference UWVN2522