Dataset

9c_Varian[9c_HEE293_20140210_04.1H.fid]

This dataset contains NMR spectra obtained for the sample -9c_Varian name: 9c_HEE293_20140210_04.13C.fid phc0: 52.6356736888 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776032 spectralWidth: 248.6751185707077 numberOfPoints: 32768 frequencyOffset: 11059.067999994455 originFrequency: 100.5438351 name: 9c_HEE293_20140210_04.1H.fid phc0: -74.4119518191 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875163 spectralWidth: 17.968220786466585 numberOfPoints: 16384 frequencyOffset: 2800.7369999727416 originFrequency: 399.8146759 name: 9c_HEE293_20140210_04.dept.fid phc0: -37.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776033 spectralWidth: 248.6751185682341 numberOfPoints: 32768 frequencyOffset: 11059.066999990819 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?/m0/s1
SMILES CCCCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key HRRYGSPDIDDOQX-BHWOMJMDSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s370.d1927
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1927
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-dodecyl-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 : 17.968220786466585

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416638 pubchem
    The data in this table is sourced from UniChem at EBI.