Dataset

6a_Varian[6a_HEE283_20140226_04.13C.fid]

This dataset contains NMR spectra obtained for the sample -6a_Varian name: 6a_HEE283_20140226_04.13C.fid phc0: 57.9539489746 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776562 spectralWidth: 248.67511725971423 numberOfPoints: 32768 frequencyOffset: 11058.538000000339 originFrequency: 100.5438351 name: 6a_HEE283_20140226_04.1H.fid phc0: -93.8851703418 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811873541 spectralWidth: 17.968220859362003 numberOfPoints: 16384 frequencyOffset: 2802.3589999861542 originFrequency: 399.8146759 name: 6a_HEE283_20140226_04.dept.fid phc0: -32 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776562 spectralWidth: 248.67511725971423 numberOfPoints: 32768 frequencyOffset: 11058.538000000339 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES CCCCCCCCC(=O)C1=CC=CO1
InChI Key IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula C13H20O2
Exact Mass 208.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s376.d1944
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1944
Version
Author Toni Ditfe, Eileen Bette, Haider N. Sultani, Alexander Otto, Ludger A. Wessjohann, Norbert Arnold, Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19T09:20:10.000000Z
Related Molecule
  • 1-(furan-2-yl)nonan-1-one
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : 25 K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width : 248.67511725971423

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    4323817 eMolecules
    16203377 PubChem: Thomson Pharma
    SCHEMBL4382929 SureChEMBL
    J371.321K Nikkaji
    3779043 PubChem
    The data in this table is sourced from UniChem at EBI.