Dataset

9b_Varian[9b_HEE310_20140219_07.13C.fid]

This dataset contains NMR spectra obtained for the sample -9b_Varian name: 9b_HEE310_20140219_07.13C.fid phc0: 46.3813910117 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775886 spectralWidth: 248.67511893184928 numberOfPoints: 32768 frequencyOffset: 11059.213999999429 originFrequency: 100.5438351 name: 9b_HEE310_20140219_07.1H.fid phc0: -79.4807091372 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874974 spectralWidth: 17.968220794960565 numberOfPoints: 16384 frequencyOffset: 2800.926000020354 originFrequency: 399.8146759 name: 9b_HEE310_20140219_07.dept.fid phc0: -45.9 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775886 spectralWidth: 248.67511893184928 numberOfPoints: 32768 frequencyOffset: 11059.213999999429 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-14-13(16)11-12-15(17)18-14/h11-12,14-15,17H,2-10H2,1H3/t14-,15?/m0/s1
SMILES CCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key ZWUNUXNXAVPNGF-MLCCFXAWSA-N
Molecular Formula C15H26O3
Exact Mass 254.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s365.d1911
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1911
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
  • (6S)-6-decyl-2-hydroxy-2H-pyran-5-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 : 248.67511893184928

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    14641217 PubChem
    The data in this table is sourced from UniChem at EBI.