Dataset

12b_Varian[12b_HEE313_20140221_02.1H.fid]

This dataset contains NMR spectra obtained for the sample -12b_Varian name: 12b_HEE313_20140221_02.13C.fid phc0: 54.1910616794 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775441 spectralWidth: 248.6751200325891 numberOfPoints: 32768 frequencyOffset: 11059.65899999717 originFrequency: 100.5438351 name: 12b_HEE313_20140221_02.1H.fid phc0: -77.5225089784 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875419 spectralWidth: 17.968220774961512 numberOfPoints: 16384 frequencyOffset: 2800.4810000084035 originFrequency: 399.8146759 name: 12b_HEE313_20140221_02.dept.fid phc0: -36.7820017817 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775441 spectralWidth: 248.6751200325891 numberOfPoints: 32768 frequencyOffset: 11059.65899999717 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-13-17-16(20)14-15-18(21-17)22-19(2,3)4/h14-15,17-18H,5-13H2,1-4H3/t17-,18?/m1/s1
SMILES CCCCCCCCCC[C@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key KLVPWNXZZLQNQO-QNSVNVJESA-N
Molecular Formula C19H34O3
Exact Mass 310.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s339.d1866
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1866
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-decyl-2-[(2-methylpropan-2-yl)oxy]-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 : 17.968220774961512

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416629 PubChem
    The data in this table is sourced from UniChem at EBI.