Dataset

13b_Varian[13b_HEE314_20140224_01.1H.fid]

This dataset contains NMR spectra obtained for the sample -13b_Varian name: 13b_HEE314_20140224_01.13C.fid phc0: 54.6321648712 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775683 spectralWidth: 248.67511943398452 numberOfPoints: 32768 frequencyOffset: 11059.416999998462 originFrequency: 100.5438351 name: 13b_HEE314_20140224_01.1H.fid phc0: -78.0632019342 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875721 spectralWidth: 17.968220761389123 numberOfPoints: 16384 frequencyOffset: 2800.179000018943 originFrequency: 399.8146759 name: 13b_HEE314_20140224_01.dept.fid phc0: -35.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775683 spectralWidth: 248.67511943398452 numberOfPoints: 32768 frequencyOffset: 11059.416999998462 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1
SMILES CCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key UUGZTQBOKIWCDV-HKUYNNGSSA-N
Molecular Formula C19H34O3
Exact Mass 310.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s373.d1936
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1936
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-decyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-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 : 17.968220761389123

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416628 pubchem
    The data in this table is sourced from UniChem at EBI.