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(3S)-1,1-Dibenzyl-3-hydroxypyrrolidinium hexafluorophosphate
SpectraBase Compound ID T07O4YVsSz
InChI InChI=1S/C18H22NO.F6P/c20-18-11-12-19(15-18,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;1-7(2,3,4,5)6/h1-10,18,20H,11-15H2;/q+1;-1/t18-;/m0./s1
InChIKey UMFDSQNPURFJSB-FERBBOLQSA-N
Mol Weight 413.34418098 g/mol
Molecular Formula C18H22F6NOP
Exact Mass 413.13432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJRZ9eXiTY7
Name (3S)-1,1-Dibenzyl-3-hydroxypyrrolidinium hexafluorophosphate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F6NOP
InChI InChI=1S/C18H22NO.F6P/c20-18-11-12-19(15-18,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;1-7(2,3,4,5)6/h1-10,18,20H,11-15H2;/q+1;-1/t18-;/m0./s1
InChIKey UMFDSQNPURFJSB-FERBBOLQSA-N
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.210
Molecular Weight 413.344 g/mol
Optical Rotation [a]D24 = +7.2 (c = 0.74, MeOH)
SMILES O[C@@]1(C[N+](Cc2ccccc2)(CC1)Cc1ccccc1)[H].[P-](F)(F)(F)(F)(F)F
SPLASH splash10-052f-9400000000-5109ea91049589e3d9ea
Source of Spectrum ARK-2014-61-18
Thin-Layer Chromatography Rf = 0.54 (CH2Cl2/MeOH, 10:1)
Wiley ID 1843280