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
    CHEMBL149859 ChEMBL
    LMFA08040004 LipidMaps
    50056471 BindingDB
    LSM-43037 LINCS
    SLM:000000406 SwissLipids
    15445558 PubChem: Thomson Pharma
    70112029 NMRShiftDB
    PD020554 ProbesDrugs
    5283446 PubChem
    CB3185498 ChemicalBook
    889DYX0816 FDA SRS
    64032 ChEBI
    1934522 eMolecules
    DTXSID10887223 EPA CompTox Dashboard
    146095 Brenda
    HMDB0012252 Human Metabolome Database
    84060 Brenda
    64032 Rhea
    83740 Brenda
    214084 Brenda
    ZINC000008689957 ZINC
    SCHEMBL653623 SureChEMBL
    The data in this table is sourced from UniChem at EBI.