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6,6',10,10',12,12'-HEXACHLOROISOPERROTTETIN-A
SpectraBase Compound ID BrKFU3mP792
InChI InChI=1S/C28H20Cl6O4/c29-19-7-5-15(23(33)27(19)37)3-1-13-9-17(25(35)21(31)11-13)18-10-14(12-22(32)26(18)36)2-4-16-6-8-20(30)28(38)24(16)34/h5-12,35-38H,1-4H2
InChIKey TXXVDUPOVDOCGE-UHFFFAOYSA-N
Mol Weight 633.2 g/mol
Molecular Formula C28H20Cl6O4
Exact Mass 629.949275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0CrQNNVeZY
Name 6,6',10,10',12,12'-HEXACHLOROISOPERROTTETIN-A
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H20Cl6O4
InChI InChI=1S/C28H20Cl6O4/c29-19-7-5-15(23(33)27(19)37)3-1-13-9-17(25(35)21(31)11-13)18-10-14(12-22(32)26(18)36)2-4-16-6-8-20(30)28(38)24(16)34/h5-12,35-38H,1-4H2
InChIKey TXXVDUPOVDOCGE-UHFFFAOYSA-N
Literature Reference Author U.M.HERTEWICH,J.ZAPP,H.BECKER
Literature Reference Citation PHYTOCHEM.,63,227(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00049-9
Molecular Weight 633.182 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU29715