Dataset

2a[13C NMR]

This dataset contains NMR spectra obtained for the sample -2a Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 300.001 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: 299.9977 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/C16H10S/c1-2-4-13-11(3-1)5-6-12-7-8-15-14(16(12)13)9-10-17-15/h1-10H
SMILES	C1=CC2=CC=C3C=CC4=C(C=CS4)C3=C2C=C1
InChI Key	XRJUVKFVUBGLMG-UHFFFAOYSA-N

Data and Resources

2a[13C NMR]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p146.s1454.d6363
License URL
Source	https://nmrxiv.org/D6363
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 : 300.001 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.