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CQUYVXGVABKOBJ-RNUIIZCHSA-N
SpectraBase Compound ID 6DMHVei7nNk
InChI InChI=1S/C64H46F5NO14/c65-49-50(66)52(68)55(53(69)51(49)67)82-62(75)47(70-64(76)78-34-46-44-27-15-13-25-42(44)43-26-14-16-28-45(43)46)33-36-29-31-41(32-30-36)79-63-57(84-61(74)40-23-11-4-12-24-40)56(83-60(73)39-21-9-3-10-22-39)54(81-59(72)38-19-7-2-8-20-38)48(80-63)35-77-58(71)37-17-5-1-6-18-37/h1-32,46-48,54,56-57,63H,33-35H2,(H,70,76)/t47-,48-,54-,56+,57-,63+/m0/s1
InChIKey CQUYVXGVABKOBJ-RNUIIZCHSA-N
Mol Weight 1148.1 g/mol
Molecular Formula C64H46F5NO14
Exact Mass 1147.283846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rcOGbcVM9p
Name CQUYVXGVABKOBJ-RNUIIZCHSA-N
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H46F5NO14
InChI InChI=1S/C64H46F5NO14/c65-49-50(66)52(68)55(53(69)51(49)67)82-62(75)47(70-64(76)78-34-46-44-27-15-13-25-42(44)43-26-14-16-28-45(43)46)33-36-29-31-41(32-30-36)79-63-57(84-61(74)40-23-11-4-12-24-40)56(83-60(73)39-21-9-3-10-22-39)54(81-59(72)38-19-7-2-8-20-38)48(80-63)35-77-58(71)37-17-5-1-6-18-37/h1-32,46-48,54,56-57,63H,33-35H2,(H,70,76)/t47-,48-,54-,56+,57-,63+/m0/s1
InChIKey CQUYVXGVABKOBJ-RNUIIZCHSA-N
Literature Reference Author K.J.JENSEN,M.MELDAL,K.BOCK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2119(1993)
Literature Reference DOI 10.1039/p19930002119
Molecular Weight 1148.060 g/mol
Solvent DMSO-D6
Source File Reference UWRU3385