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#5A;DIASTEREOISOMER-A;[1-BENZYL-3-BUTYL-QUINOLINE-2,4(1H,3H)-DIONE-3-YL]-[2,5-BIS-(TRIFLUOROMETHYL)-2,4,4,5,7,7,8,8,9,9,9-UNDECAFLUORO-3,6-DIOXANONANOATE
SpectraBase Compound ID 8bwsSiOhT5Z
InChI InChI=1S/C29H20F17NO6/c1-2-3-13-21(18(48)16-11-7-8-12-17(16)47(19(21)49)14-15-9-5-4-6-10-15)51-20(50)22(30,25(34,35)36)52-29(45,46)24(33,27(40,41)42)53-28(43,44)23(31,32)26(37,38)39/h4-12H,2-3,13-14H2,1H3
InChIKey MRAWBPMYLYUOSP-UHFFFAOYSA-N
Mol Weight 801.45 g/mol
Molecular Formula C29H20F17NO6
Exact Mass 801.101916 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vRlRoFdMsf
Name #5A;DIASTEREOISOMER-B;[1-BENZYL-3-BUTYL-QUINOLINE-2,4(1H,3H)-DIONE-3-YL]-[2,5-BIS-(TRIFLUOROMETHYL)-2,4,4,5,7,7,8,8,9,9,9-UNDECAFLUORO-3,6-DIOXANONANOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H20F17NO6
InChI InChI=1S/C29H20F17NO6/c1-2-3-13-21(18(48)16-11-7-8-12-17(16)47(19(21)49)14-15-9-5-4-6-10-15)51-20(50)22(30,25(34,35)36)52-29(45,46)24(33,27(40,41)42)53-28(43,44)23(31,32)26(37,38)39/h4-12H,2-3,13-14H2,1H3
InChIKey MRAWBPMYLYUOSP-UHFFFAOYSA-N
Literature Reference Author O.PALETA,K.POMEISL,S.KAFKA,A.KLASEK,V.KUBELKA
Literature Reference Citation BEIL.J.ORG.CHEM.,1,17,1(2005)
Literature Reference DOI 10.1186/1860-5397-1-17
Solvent CDCl3
Source File Reference UWBT11105