Dataset

10c_Varian[10c_HEE292_20140210_03.13C.fid]

This dataset contains NMR spectra obtained for the sample -10c_Varian name: 10c_HEE292_20140210_03.13C.fid phc0: 55.2606506348 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775901 spectralWidth: 248.6751188947457 numberOfPoints: 32768 frequencyOffset: 11059.19900000174 originFrequency: 100.5438351 name: 10c_HEE292_20140210_03.1H.fid phc0: -71.71179169 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875318 spectralWidth: 17.968220779500623 numberOfPoints: 16384 frequencyOffset: 2800.582000020313 originFrequency: 399.8146759 name: 10c_HEE292_20140210_03.dept.fid phc0: -34.7 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775902 spectralWidth: 248.67511889227214 numberOfPoints: 32768 frequencyOffset: 11059.197999998105 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(18)13-14-17(19)20-16/h13-14,16-17,19H,2-12H2,1H3/t16-,17?/m1/s1
SMILES CCCCCCCCCCCC[C@H]1OC(O)C=CC1=O
InChI Key HRRYGSPDIDDOQX-TZHYSIJRSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s330.d1852
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1852
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
  • (6R)-6-dodecyl-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 : 248.6751188947457

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416625 PubChem
    The data in this table is sourced from UniChem at EBI.