DOI: 10.57992/nmrxiv.p157.s1604
title: BHCL_Na_DSS

description: This dataset contains NMR spectra obtained for the sample -BHCL_Na_DSS Nucleus: 13C NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 295.9852 Observed Frequency: 125.78746 Magnetic Field Strength: 11.747332789100614 Number of Scans: 2048 NMR Pulse Sequence: C90.hpdec Spectral Width: 189.267675585541 Number of Data Points: 2378 Relaxation Delay: 6 Observed Frequency: 125.7981519341 Nucleus: 13C NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 295.9922 Observed Frequency: 125.78746 Magnetic Field Strength: 11.747332789100614 Number of Scans: 2048 NMR Pulse Sequence: NEA_CP Spectral Width: 180.666405933068 Number of Data Points: 2270 Relaxation Delay: 6 Observed Frequency: 125.7968940595 Nucleus: 13C NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 296.0006 Observed Frequency: 125.78746 Magnetic Field Strength: 11.747332789100614 Number of Scans: 2048 NMR Pulse Sequence: NEA_ineptrd Spectral Width: 180.666405933068 Number of Data Points: 2270 Relaxation Delay: 6 Observed Frequency: 125.7968940595 Nucleus: 1H NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 295.9992 Observed Frequency: 500.248 Magnetic Field Strength: 11.749122218330188 Number of Scans: 16 NMR Pulse Sequence: onepulse Spectral Width: 19.9900065723262 Number of Data Points: 3006 Relaxation Delay: 8 Observed Frequency: 500.24996059 Nucleus: 31P NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: 1d Temperature: 295.9945 Observed Frequency: 202.504102 Magnetic Field Strength: 11.745385617451017 Number of Scans: 256 NMR Pulse Sequence: NEA_zg30bbdec Spectral Width: 201.284225443572 Number of Data Points: 5702 Relaxation Delay: 6 Observed Frequency: 202.5040436 Nucleus: 31P NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: 1d Temperature: 295.9995 Observed Frequency: 202.504102 Magnetic Field Strength: 11.745385617451017 Number of Scans: 2048 NMR Pulse Sequence: NEA_zg30bbdec Spectral Width: 201.284167395372 Number of Data Points: 4072 Relaxation Delay: 5 Observed Frequency: 202.504102 Nucleus: 13C,1H NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 295.9974 Observed Frequency: 125.78746,500.248 Magnetic Field Strength: 11.747332789100614 Number of Scans: 512 NMR Pulse Sequence: NEA_RPDLF Spectral Width: 180.666405933068,4.99752988789391 Number of Data Points: 2270,32 Relaxation Delay: 6 Observed Frequency: 125.7968940595,500.2471333

BHCL (27.3mg, 1.0 eq.) and DSS (0.25mg, 0.06eq.) were dissolved with 1ml chloroform:methanol
(7:3, v/v) in an Eppendorf vial. The solvent was evaporated at 40°C under a constant stream of
argon and the predried sample was freeze-dried over night. 18.0µl degassed water was added and
the Eppendorf was stored at 40°C for three days. Lost water was added and the sample was mixed
thoroughly with a steel rod. After another two days of equilibration the sample was again mixed
before packing the insert.