Dataset

oleoyl ethanolamide[TN001003LK_13cE6-1-1.jdf]

This dataset contains NMR spectra obtained for the sample -oleoyl ethanolamide date: {"year":2025,"month":4,"day":28} isFt: false name: TN001003LK_13cE6-1-1.jdf type: NMR SPECTRUM isFid: true title: title: TN001003LK / comment: 003LK 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: TN001003LK temperature: 293.95 baseFrequency: 150.9495124651823 digitalFilter: 19.65565013885498 fieldStrength: 14.09636928 numberOfScans: 1757 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":26} isFt: false name: TN001003LK_1hE6-1-1.jdf type: NMR SPECTRUM isFid: true title: title: TN001003LK / comment: 003LK single_pulse / author:datum / site: author: datum nucleus: 1H solvent: CHLOROFORM-D metadata: [object Object] dimension: 1 isComplex: true probeName: 3365 experiment: 1d sampleName: TN001003LK temperature: 294.04999999999995 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/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)NCCO
InChI Key BOWVQLFMWHZBEF-KTKRTIGZSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p118.s1230.d5272
License URL
Source https://nmrxiv.org/D5272
Version
Author
Maintainer
Language english
MetadataPublished 2026-01-01T10:37:00.000000Z
Related Molecule
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 : 293.95 K

magnetic field strength : 14.09636928 Tesla

number of scans : 1757 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
DB16495 DrugBank
60023498 NMRShiftDB
5YM PDBe
PD014920 ProbesDrugs
71466 ChEBI
1HI5J9N8E6 FDA SRS
14801663 PubChem: Thomson Pharma
5283454 PubChem
592961 eMolecules
ZINC000008034993 ZINC
MTBLC71466 Metabolights
69573 Brenda
4842 Brenda
172336 Brenda
146094 Brenda
75990 Brenda
HMDB0002088 Human Metabolome Database
71466 Rhea
CB1708480 ChemicalBook
SCHEMBL177713 SureChEMBL
J193.596H Nikkaji
242167 Brenda
29080 BindingDB
234355 Brenda
HY-107542 MedChemExpress
LSM-42935 LINCS
DTXSID1044516 EPA CompTox Dashboard
LMFA08040015 LipidMaps
SLM:000000147 SwissLipids
CHEMBL280065 ChEMBL
2661 Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.