Dataset

Iq[Iq-13C]

This dataset contains NMR spectra obtained for the sample -Iq Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 297.9995 Observed Frequency: 125.770361 Magnetic Field Strength: 11.745735907794952 Number of Scans: 128 NMR Pulse Sequence: zgdc30 Spectral Width: 271.025609169337 Number of Data Points: 170450 Relaxation Delay: 1.2 Observed Frequency: 125.784826 Nucleus: 19F NMR Solvent: CDCl3 NMR Probe: Z104275_0291 (PA BBO 300S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0022 Observed Frequency: 282.404355 Magnetic Field Strength: 7.047908290811697 Number of Scans: 128 NMR Pulse Sequence: zgfhigqn Spectral Width: 237.145715453412 Number of Data Points: 267850 Relaxation Delay: 1 Observed Frequency: 282.37611456 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0006 Observed Frequency: 500.18 Magnetic Field Strength: 11.747525129864373 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 22.2140918006466 Number of Data Points: 88234 Relaxation Delay: 0.5 Observed Frequency: 500.18300144

Chemical Information

molecular Image
InChI InChI=1S/C21H28FN/c22-20-11-9-19(10-12-20)17-23-21(14-5-2-6-15-21)16-13-18-7-3-1-4-8-18/h9-12,18,23H,1-8,14-15,17H2
SMILES FC1=CC=C(CNC2(C#CC3CCCCC3)CCCCC2)C=C1
InChI Key QRIGAYNYQQVRDK-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p165.s1733.d7689
License URL
Source https://nmrxiv.org/D7689
Version
Author
Maintainer
Language english
MetadataPublished 2026-03-20T08:59:28.000000Z
Related Molecule
  • nfdi4chem-mol1018 (Unknown 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 : Z127784_0003 (CP BBO 500S1 BBF-H-D-05 Z)

    Temperature : 297.9995 K

    magnetic field strength : 11.745735907794952 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : zgdc30

    Spectral Width : 271.025609169337

    number of data points : 170450 points

    relaxation time measurement : 1.2 seconds

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