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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,TRI-TERT.-BUTYLESTER
SpectraBase Compound ID BymbcnCkEij
InChI InChI=1S/C33H54O6/c1-22(2,3)31-28(19(34)37-25(10,11)12)29(20(35)38-26(13,14)15)30(28,21(36)39-27(16,17)18)33(31,24(7,8)9)32(29,31)23(4,5)6/h1-18H3/t28-,29+,30-,31+,32-,33+
InChIKey OLCJSQMFFBTDJJ-JEXIHCBFSA-N
Mol Weight 546.8 g/mol
Molecular Formula C33H54O6
Exact Mass 546.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZ4du6VncmU
Name 3,4,5-TRI-TERT.-BUTYLTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-1,2,6-TRICARBOXYLIC-ACID,TRI-TERT.-BUTYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O6
InChI InChI=1S/C33H54O6/c1-22(2,3)31-28(19(34)37-25(10,11)12)29(20(35)38-26(13,14)15)30(28,21(36)39-27(16,17)18)33(31,24(7,8)9)32(29,31)23(4,5)6/h1-18H3/t28-,29+,30-,31+,32-,33+
InChIKey OLCJSQMFFBTDJJ-JEXIHCBFSA-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 546.788 g/mol
Solvent CDCl3
Source File Reference UWGB1604