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8,19-BIS-TRIFLUOROMETHANSULFONOXY-5,7,9,11,16,18,20,22-OCTAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
SpectraBase Compound ID 3J9jjmQbcyY
InChI InChI=1S/C44H28F6O6S2/c45-43(46,47)57(51,52)55-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(56-58(53,54)44(48,49)50)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2/t21-,22+,23+,24-,33-,34+,35+,36-
InChIKey PMLGCVFUTNNYGO-FCODNRGNSA-N
Mol Weight 830.8 g/mol
Molecular Formula C44H28F6O6S2
Exact Mass 830.12315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZjEZbCzCSo
Name 8,19-BIS-TRIFLUOROMETHANSULFONOXY-5,7,9,11,16,18,20,22-OCTAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H28F6O6S2
InChI InChI=1S/C44H28F6O6S2/c45-43(46,47)57(51,52)55-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(56-58(53,54)44(48,49)50)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2/t21-,22+,23+,24-,33-,34+,35+,36-
InChIKey PMLGCVFUTNNYGO-FCODNRGNSA-N
Literature Reference Author F.G.KLAERNER,U.BURKERT,M.KAMIETH,R.BOESE,J.BENET-BUCHHOLZ
Literature Reference Citation CHEM.EUR.J.,5,1700(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990604)5:6<1700::aid-chem1700>3.3.co;2-0
Molecular Weight 830.813 g/mol
Solvent CDCl3
Source File Reference UWRU9687