Dataset

6b_Varian.

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.d1959
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1959
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)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.