Dataset

1n (mixture)[1H NMR]

This dataset contains NMR spectra obtained for the sample -1n (mixture) Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 NMR Pulse Sequence: 1d Temperature: 296.0982 Observed Frequency: 100.63037 Magnetic Field Strength: 9.397903774194397 Number of Scans: 1200 NMR Pulse Sequence: zgpg30 Spectral Width: 282.280252163734 Number of Data Points: 32768 Relaxation Delay: 1 Observed Frequency: 100.641439460712 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 NMR Pulse Sequence: 1d Temperature: 294.597 Observed Frequency: 400.2 Magnetic Field Strength: 9.399335353216285 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0219201303995 Number of Data Points: 32768 Relaxation Delay: 1 Observed Frequency: 400.2024012

Chemical Information

molecular Image
InChI InChI=1S/2C18H12N2S/c2*1-2-4-16-11-13(7-9-15(16)3-1)5-6-14-8-10-17-18(12-14)20-21-19-17/h2*1-12H/b6-5+;6-5-
SMILES C(=C/C1=CC2=NSN=C2C=C1)\C1=CC2=CC=CC=C2C=C1.C(=C\C1=CC2=NSN=C2C=C1)\C1=CC=C2C=CC=CC2=C1
InChI Key HEHSFJCQRUUMBL-JFFOEUGHSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p146.s1445.d6345
License URL
Source https://nmrxiv.org/D6345
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
  • nfdi4chem-mol5410 (Unknown 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 : 5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621

    Temperature : 294.597 K

    magnetic field strength : 9.399335353216285 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 20.0219201303995

    number of data points : 32768 points

    relaxation time measurement : 1 seconds

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