Dataset

linoleoyl ethanolamide[TN001002LK_13cE6-1-1.jdf]

This dataset contains NMR spectra obtained for the sample -linoleoyl ethanolamide date: {"year":2025,"month":4,"day":25} isFt: false name: TN001002LK_13cE6-1-1.jdf type: NMR SPECTRUM isFid: true title: title: TN001002LK / comment: 002LK single pulse decoupled gated NOE / author:datum / site: author: datum nucleus: 13C solvent: CHLOROFORM-D metadata: [object Object] dimension: 1 isComplex: true probeName: 3365 experiment: 1d sampleName: TN001002LK temperature: 295.84999999999997 baseFrequency: 150.9495124651823 digitalFilter: 19.65565013885498 fieldStrength: 14.09636928 numberOfScans: 10000 pulseSequence: carbon.jxp spectralWidth: 313.74599811902664 numberOfPoints: 32768 relaxationTime: 2 acquisitionMode: 0 acquisitionTime: 0.69206016 frequencyOffset: 15094.951246518229 originFrequency: 150.9134303938504 pulseStrength90: 15337.423312883437 spectralWidthClipped: 250936801.71722928 date: {"year":2025,"month":4,"day":23} isFt: false name: TN001002LK_1hE6-2-1.jdf type: NMR SPECTRUM isFid: true title: title: TN001002LK / comment: 002LK single_pulse / author:datum / site: author: datum nucleus: 1H solvent: CHLOROFORM-D metadata: [object Object] dimension: 1 isComplex: true probeName: 3365 experiment: 1d sampleName: TN001002LK temperature: 295.45 baseFrequency: 600.1878601986348 digitalFilter: 19.65565013885498 fieldStrength: 14.09636928 numberOfScans: 64 pulseSequence: proton.jxp spectralWidth: 18.797249325094484 numberOfPoints: 32768 relaxationTime: 5 acquisitionMode: 0 acquisitionTime: 2.9045555199999997 frequencyOffset: 3000.9393009931737 originFrequency: 600.17230460376 pulseStrength90: 37425.149700598806 spectralWidthClipped: 15037409.712245414

Chemical Information

molecular Image
InChI InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO
InChI Key KQXDGUVSAAQARU-HZJYTTRNSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p118.s1227.d5247
License URL
Source https://nmrxiv.org/D5247
Version
Author
Maintainer
Language english
MetadataPublished 2026-01-01T10:37:00.000000Z
Related Molecule
  • (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CHLOROFORM-D

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 3365

    Temperature : 295.84999999999997 K

    magnetic field strength : 14.09636928 Tesla

    number of scans : 10000 scans

    nuclear magnetic resonance pulse sequence : carbon.jxp

    Spectral Width : 313.74599811902664

    number of data points : 32768 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:64032 chebi
    LMFA08040004 lipidmaps
    CHEMBL149859 chembl
    653623 surechembl
    5283446 pubchem
    889DYX0816 fdasrs
    PD020554 probes_and_drugs
    146095 brenda
    214084 brenda
    83740 brenda
    84060 brenda
    HMDB0012252 hmdb
    Molport-009-018-847 molport
    50056471 bindingdb
    The data in this table is sourced from UniChem at EBI.