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(5-HYDROXYL-5-PERFLUOROACETYL-2-OXO-3-OXAPENTYL)-BENZYL-DIMETHYL-AMMONIUM-BROMIDE
SpectraBase Compound ID Ea4AC0jtAbQ
InChI InChI=1S/C21H19F17NO3.BrH/c1-39(2,8-11-6-4-3-5-7-11)9-13(41)42-10-12(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38;/h3-7,12,40H,8-10H2,1-2H3;1H/q+1;/p-1
InChIKey LRTYAJZTXQRVFP-UHFFFAOYSA-M
Mol Weight 736.26 g/mol
Molecular Formula C21H19BrF17NO3
Exact Mass 735.027685 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FztHKJa1hFC
Name (5-HYDROXYL-5-PERFLUOROACETYL-2-OXO-3-OXAPENTYL)-BENZYL-DIMETHYL-AMMONIUM-BROMIDE
Compound Number 7P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrF17NO3
InChI InChI=1S/C21H19F17NO3.BrH/c1-39(2,8-11-6-4-3-5-7-11)9-13(41)42-10-12(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38;/h3-7,12,40H,8-10H2,1-2H3;1H/q+1;/p-1
InChIKey LRTYAJZTXQRVFP-UHFFFAOYSA-M
Literature Reference Author A.AYARI,S.SZOENYI,E.ROUVIER,A.CAMBON
Literature Reference Citation BULL.SOC.CHIM.FR.,129,315(1992)
Solvent CD3OD
Source File Reference UWPS3079