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1-[2-(4-BROMO-4'-FLUOROBENZHYDRYLOXY)ETHYL]-4-(2-METHYLPHENYL)-PIPERIDIN-4-OL, OXALATE

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1-[2-(4-BROMO-4'-FLUOROBENZHYDRYLOXY)ETHYL]-4-(2-METHYLPHENYL)-PIPERIDIN-4-OL, OXALATE
SpectraBase Compound ID 2NISVyBOJWJ
InChI InChI=1S/C27H29BrFNO2.C2H2O4/c1-20-4-2-3-5-25(20)27(31)14-16-30(17-15-27)18-19-32-26(21-6-10-23(28)11-7-21)22-8-12-24(29)13-9-22;3-1(4)2(5)6/h2-13,26,31H,14-19H2,1H3;(H,3,4)(H,5,6)
InChIKey RSDSBXMYLUWWJH-UHFFFAOYSA-N
Mol Weight 588.47 g/mol
Molecular Formula C29H31BrFNO6
Exact Mass 587.131879 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80GqhJC5bDe
Name 1-[2-(4-BROMO-4'-FLUOROBENZHYDRYLOXY)ETHYL]-4-(2-METHYLPHENYL)-PIPERIDIN-4-OL, OXALATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H31BrFNO6
InChI InChI=1S/C27H29BrFNO2.C2H2O4/c1-20-4-2-3-5-25(20)27(31)14-16-30(17-15-27)18-19-32-26(21-6-10-23(28)11-7-21)22-8-12-24(29)13-9-22;3-1(4)2(5)6/h2-13,26,31H,14-19H2,1H3;(H,3,4)(H,5,6)
InChIKey RSDSBXMYLUWWJH-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference Z.VEJDELEK, J.METYS, J.HOLUBEK, E.SVATEK, M.PROTIVA (1984)Coll.Czech.Chem.Comm.: v.49, N11, 2649-2660.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform