Dataset

Ie[Ie-13C]

This dataset contains NMR spectra obtained for the sample -Ie Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 297.9999 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 64 NMR Pulse Sequence: zgdc30 Spectral Width: 272.2903092869 Number of Data Points: 171232 Relaxation Delay: 1.2 Observed Frequency: 125.772288526 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0038 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 21.7333493299568 Number of Data Points: 86956 Relaxation Delay: 0.5 Observed Frequency: 500.13300078

Chemical Information

molecular Image
InChI InChI=1S/C18H25NO/c1-17(2,20)13-14-18(11-7-4-8-12-18)19-15-16-9-5-3-6-10-16/h3,5-6,9-10,19-20H,4,7-8,11-12,15H2,1-2H3
SMILES CC(C)(O)C#CC1(NCC2=CC=CC=C2)CCCCC1
InChI Key XMJAJORKAVDXLA-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p165.s1743.d7712
License URL
Source https://nmrxiv.org/D7712
Version
Author
Maintainer
Language english
MetadataPublished 2026-03-20T08:59:28.000000Z
Related Molecule
  • nfdi4chem-mol6502 (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 : Z107909_0022 (CP DCH 500S2 C/H-D-05 Z)

    Temperature : 297.9999 K

    magnetic field strength : 11.744561760260211 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : zgdc30

    Spectral Width : 272.2903092869

    number of data points : 171232 points

    relaxation time measurement : 1.2 seconds

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