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3,4,5-TRI-TERT.-BUTYLTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-1,2,6-TRICARBOXYLIC-ACID,6-TERT.-BUTYLESTER-1,2-DIMETHYLESTER

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3,4,5-TRI-TERT.-BUTYLTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-1,2,6-TRICARBOXYLIC-ACID,6-TERT.-BUTYLESTER-1,2-DIMETHYLESTER
SpectraBase Compound ID 7KP6pByeKN8
InChI InChI=1S/C27H42O6/c1-18(2,3)25-22(15(28)31-13)23(16(29)32-14)24(22,17(30)33-21(10,11)12)27(25,20(7,8)9)26(23,25)19(4,5)6/h1-14H3/t22-,23+,24-,25+,26-,27+
InChIKey XOKNQLPOKJYADD-DOYJOHMCSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mw9chKbIqy
Name 3,4,5-TRI-TERT.-BUTYLTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-1,2,6-TRICARBOXYLIC-ACID,6-TERT.-BUTYLESTER-1,2-DIMETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-18(2,3)25-22(15(28)31-13)23(16(29)32-14)24(22,17(30)33-21(10,11)12)27(25,20(7,8)9)26(23,25)19(4,5)6/h1-14H3/t22-,23+,24-,25+,26-,27+
InChIKey XOKNQLPOKJYADD-DOYJOHMCSA-N
Literature Reference Author H.WINGERT,M.REGITZ
Literature Reference Citation CHEM.BER.,119,244(1986)
Literature Reference DOI 10.1002/cber.19861190122
Molecular Weight 462.627 g/mol
Solvent CDCl3
Source File Reference UWGB1603