Dataset

3b[1H NMR]

This dataset contains NMR spectra obtained for the sample -3b Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 299.9963 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: 299.9942 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

InChI	InChI=1S/C22H14S2/c1-2-6-19-15(4-1)7-8-16-9-12-21-20(22(16)19)14-18(24-21)11-10-17-5-3-13-23-17/h1-14H/b11-10+
SMILES	C(=C/C1=CC2=C(C=CC3=CC=C4C=CC=CC4=C32)S1)\C1=CC=CS1
InChI Key	QFBCNLZPUXVTBO-ZHACJKMWSA-N

Data and Resources

3b[1H NMR]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p146.s1428.d6312
License URL
Source	https://nmrxiv.org/D6312
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	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) Temperature : 299.9942 K magnetic field strength : 9.399335353216285 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.5488091609784 number of data points : 65536 points relaxation time measurement : 1 seconds

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