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3,3-ditert-butyl 1,5-bis(2,3,4,5,6-pentachlorophenyl) pentane-1,3,3,5-tetracarboxylate
SpectraBase Compound ID CMCRulPTbsG
InChI InChI=1S/C29H26Cl10O8/c1-27(2,3)46-25(42)29(26(43)47-28(4,5)6,9-7-11(40)44-23-19(36)15(32)13(30)16(33)20(23)37)10-8-12(41)45-24-21(38)17(34)14(31)18(35)22(24)39/h7-10H2,1-6H3
InChIKey XRIYKAJULAFQNM-UHFFFAOYSA-N
Mol Weight 857.0 g/mol
Molecular Formula C29H26Cl10O8
Exact Mass 851.851295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 682DyxQfqh0
Name 3,3-ditert-butyl 1,5-bis(2,3,4,5,6-pentachlorophenyl) pentane-1,3,3,5-tetracarboxylate
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26Cl10O8
InChI InChI=1S/C29H26Cl10O8/c1-27(2,3)46-25(42)29(26(43)47-28(4,5)6,9-7-11(40)44-23-19(36)15(32)13(30)16(33)20(23)37)10-8-12(41)45-24-21(38)17(34)14(31)18(35)22(24)39/h7-10H2,1-6H3
InChIKey XRIYKAJULAFQNM-UHFFFAOYSA-N
Literature Reference Author R.BENSHAFRUT,A.HARAN,D.SHVARTS,B.SCHNEIDER
Literature Reference Citation J.ORG.CHEM.,67,4040(2002)
Literature Reference DOI 10.1021/jo010661u
Molecular Weight 857.051 g/mol
Solvent CDCl3
Source File Reference UWVN23026