Dataset

12b_Varian.

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, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19 09:20:10
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.