Dataset

6b_Varian[6b_HEE303_20140219_02.13C.fid]

This dataset contains NMR spectra obtained for the sample -6b_Varian name: 6b_HEE303_20140219_02.13C.fid phc0: 54.1128252944 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532777317 spectralWidth: 248.67511539216696 numberOfPoints: 32768 frequencyOffset: 11057.782999998268 originFrequency: 100.5438351 name: 6b_HEE303_20140219_02.1H.fid phc0: -79.7083394979 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811872306 spectralWidth: 17.96822091486499 numberOfPoints: 16384 frequencyOffset: 2803.5939999995207 originFrequency: 399.8146759 name: 6b_HEE303_20140219_02.dept.fid phc0: -31.5114741218 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532777317 spectralWidth: 248.67511539216696 numberOfPoints: 32768 frequencyOffset: 11057.782999998268 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3
SMILES CCCCCCCCCCC(=O)C1=CC=CO1
InChI Key PKAZAHQKFJNVGA-UHFFFAOYSA-N
Molecular Formula C15H24O2
Exact Mass 236.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s381.d1957
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1957
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)undecan-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 : 248.67511539216696

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    15721327 PubChem
    J397.285B Nikkaji
    The data in this table is sourced from UniChem at EBI.