Dataset

317E-20[CARBON_01.fid]

This dataset contains NMR spectra obtained for the sample -317E-20 name: PROTON_01.fid phc0: -139.161300659 isFid: true nucleus: 1H solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 599.690698372 spectralWidth: 17.969033200370767 numberOfPoints: 21552 frequencyOffset: 4197.827999973924 originFrequency: 599.6948962 name: PROTON_02.fid phc0: 40.8844144548 isFid: true nucleus: 1H solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 599.690698372 spectralWidth: 17.969033200370767 numberOfPoints: 21552 frequencyOffset: 4197.827999973924 originFrequency: 599.6948962 name: CARBON_01.fid phc0: -138.836085544 isFid: true nucleus: 13C solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 150.792346044 spectralWidth: 251.1983457552101 numberOfPoints: 32768 frequencyOffset: 16587.156000014147 originFrequency: 150.8089332

Chemical Information

molecular Image
InChI InChI=1S/C15H15N3O3S/c1-22-15-6-9-8-4-2-3-5-10(8)16-11(9)14(7-19,12(20)18-15)17-13(15)21/h2-5,16,19H,6-7H2,1H3,(H,17,21)(H,18,20)/t14-,15+/m1/s1
SMILES CS[C@@]12CC3=C(NC4=C3C=CC=C4)[C@@](CO)(NC1=O)C(=O)N2
InChI Key GQQXRZALBWBSBI-CABCVRRESA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p66.s500.d2464
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2464
Version
Author
Maintainer
Language english
MetadataPublished 2024-04-20T03:12:29.000000Z
Related Molecule
  • nfdi4chem-mol1460 (Unknown Molecule)
  • nfdi4chem-mol6962 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

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