Dataset

6a_Varian.

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.d1946
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1946
Version
Author Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19 09:20:10
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.