Dataset

9b_Varian.

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.d1912
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1912
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
  • (6S)-6-decyl-2-hydroxy-2H-pyran-5-one
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : 1H

    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 : 17.968220794960565

    number of data points : 16384 points

    relaxation time measurement : seconds

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