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DI-[2,2,4,4-TETRAMETHYL-3-(4'-(TETRAHYDROPYRAN-2''-YLOXY)-PHENYL)-PENTAN-3-YL]-OXALATE
SpectraBase Compound ID 3lC6PkuZCyQ
InChI InChI=1S/C42H62O8/c1-37(2,3)41(38(4,5)6,29-19-23-31(24-20-29)47-33-17-13-15-27-45-33)49-35(43)36(44)50-42(39(7,8)9,40(10,11)12)30-21-25-32(26-22-30)48-34-18-14-16-28-46-34/h19-26,33-34H,13-18,27-28H2,1-12H3
InChIKey VOEBBWAFYKUKAO-UHFFFAOYSA-N
Mol Weight 695.0 g/mol
Molecular Formula C42H62O8
Exact Mass 694.444469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8U1WNpmR9Oi
Name DI-[2,2,4,4-TETRAMETHYL-3-(4'-(TETRAHYDROPYRAN-2''-YLOXY)-PHENYL)-PENTAN-3-YL]-OXALATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H62O8
InChI InChI=1S/C42H62O8/c1-37(2,3)41(38(4,5)6,29-19-23-31(24-20-29)47-33-17-13-15-27-45-33)49-35(43)36(44)50-42(39(7,8)9,40(10,11)12)30-21-25-32(26-22-30)48-34-18-14-16-28-46-34/h19-26,33-34H,13-18,27-28H2,1-12H3
InChIKey VOEBBWAFYKUKAO-UHFFFAOYSA-N
Literature Reference Author D.J.COLLINS,M.DOSEN,G.D.FALLON,H.A.JACOBS,G.F.MEIJS,E.RIZZAR DO
Literature Reference Citation AUSTR.J.CHEM.,49,1171(1996)
Literature Reference DOI 10.1071/CH9961171
Molecular Weight 694.949 g/mol
Solvent CDCl3
Source File Reference UWRK2149