Dataset

13a_Varian[13a_HEE300_S1A_20140213_01.1H.fid]

This dataset contains NMR spectra obtained for the sample -13a_Varian name: 13a_HEE300_S1A_20140213_01.13C.fid phc0: 55.1208423117 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775371 spectralWidth: 248.67512020573918 numberOfPoints: 32768 frequencyOffset: 11059.728999995856 originFrequency: 100.5438351 name: 13a_HEE300_S1A_20140213_01.1H.fid phc0: -77.3280721211 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874847 spectralWidth: 17.968220800668156 numberOfPoints: 16384 frequencyOffset: 2801.0529999846767 originFrequency: 399.8146759 name: 13a_HEE300_S1A_20140213_01.dept.fid phc0: -44.5 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775371 spectralWidth: 248.67512020573918 numberOfPoints: 32768 frequencyOffset: 11059.728999995856 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1
SMILES CCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key TUCAXGNMUKBIKE-RDJZCZTQSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s371.d1930
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1930
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
  • (4S,5R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-octylcyclopent-2-en-1-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 : 17.968220800668156

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416635 PubChem
    The data in this table is sourced from UniChem at EBI.