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1,1-dimethyl-2-(hydroxymethyl)pyrrolidinium methyl sulfate, benzilate

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1,1-dimethyl-2-(hydroxymethyl)pyrrolidinium methyl sulfate, benzilate
SpectraBase Compound ID K0sojz5p6Vt
InChI InChI=1S/C21H26NO3.CH4O3S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey MURLUQJLSDPYTH-UHFFFAOYSA-M
Mol Weight 435.54 g/mol
Molecular Formula C22H29NO6S
Exact Mass 435.171559 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSeGncKDOev
Name 1,1-dimethyl-2-(hydroxymethyl)pyrrolidinium methyl sulfate, benzilate
Source of Sample MCNEIL LABORATORIES, INC., FORT WASHINGTON, PENNSYLVANIA
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6S
InChI InChI=1S/C21H26NO3.CH4O3S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey MURLUQJLSDPYTH-UHFFFAOYSA-M
Instrument Name Varian A-60
Sadtler NMR Number 3977M
Solvent TFA