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OCTAHYDRODIBENZO-[FG,MN]-OCTALEN-OCTACARBOXYLIC-ACID-OCTAETHYLESTER
SpectraBase Compound ID 6UiTixWfdBQ
InChI InChI=1S/C44H54O16/c1-9-53-33(45)41(34(46)54-10-2)23-27-19-17-21-29-25-43(37(49)57-13-5,38(50)58-14-6)44(39(51)59-15-7,40(52)60-16-8)26-30-22-18-20-28(32(30)31(27)29)24-42(41,35(47)55-11-3)36(48)56-12-4/h17-22H,9-16,23-26H2,1-8H3
InChIKey TXDNEOXMNGEMAT-UHFFFAOYSA-N
Mol Weight 838.9 g/mol
Molecular Formula C44H54O16
Exact Mass 838.341186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KD1YkcWXzk
Name OCTAHYDRODIBENZO-[FG,MN]-OCTALEN-OCTACARBOXYLIC-ACID-OCTAETHYLESTER
CAS Registry Number 127709-72-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54O16
InChI InChI=1S/C44H54O16/c1-9-53-33(45)41(34(46)54-10-2)23-27-19-17-21-29-25-43(37(49)57-13-5,38(50)58-14-6)44(39(51)59-15-7,40(52)60-16-8)26-30-22-18-20-28(32(30)31(27)29)24-42(41,35(47)55-11-3)36(48)56-12-4/h17-22H,9-16,23-26H2,1-8H3
InChIKey TXDNEOXMNGEMAT-UHFFFAOYSA-N
Literature Reference Author K.MUELLEN,W.HEINZ,F.G.KLAERNER,W.R.ROTH,I.KINDERMANN,O.ADAMC ZAK,M.WETTE,J.LEX
Literature Reference Citation CHEM.BER.,123,2349(1990)
Literature Reference DOI 10.1002/cber.19901231219
Molecular Weight 838.903 g/mol
Solvent CDCl3
Source File Reference UWED10482