Dataset

S5c[13C NMR]

This dataset contains NMR spectra obtained for the sample -S5c Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 299.9994 Observed Frequency: 100.63037 Magnetic Field Strength: 9.397903774194397 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 238.854909537538 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.640433077 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 299.992 Observed Frequency: 400.2 Magnetic Field Strength: 9.399335353216285 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.5488091609784 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.202471398822

Chemical Information

molecular Image
InChI InChI=1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)8-7-10-6-5-9-16-10/h5-9H,1-4H3/b8-7+
SMILES CC1(C)OB(/C=C/C2=CC=CS2)OC1(C)C
InChI Key QOJNLKBIEIAQIW-BQYQJAHWSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p146.s1448.d6350
License URL
Source https://nmrxiv.org/D6350
Version
Author Katherine Lyon, Chenyu Pan, Shainthavaan Sathiyalingam, Yang Wu, Jochen R. Brandt
Maintainer
Language english
MetadataPublished 2026-03-26T10:57:31.000000Z
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS)

Temperature : 299.9994 K

magnetic field strength : 9.397903774194397 Tesla

number of scans : 1024 scans

nuclear magnetic resonance pulse sequence : zgpg30

Spectral Width : 238.854909537538

number of data points : 65536 points

relaxation time measurement : 2 seconds

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.