Dataset

5c_Varian[5c_HEE152_20130301_01.1H.fid]

This dataset contains NMR spectra obtained for the sample -5c_Varian name: 5c_HEE152_20130301_01.13C.fid phc0: 143.338821831 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776682 spectralWidth: 248.6751169628855 numberOfPoints: 32768 frequencyOffset: 11058.417999990412 originFrequency: 100.5438351 name: 5c_HEE152_20130301_01.1H.fid phc0: -57.8027744944 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876786 spectralWidth: 17.96822071352622 numberOfPoints: 16384 frequencyOffset: 2799.1139999699044 originFrequency: 399.8146759 name: 5c_HEE152_20130301_01.dept.fid phc0: -302.325104158 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776682 spectralWidth: 248.6751169628855 numberOfPoints: 32768 frequencyOffset: 11058.417999990412 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3
SMILES CCCCCCCCCCCCC(O)C1=CC=CO1
InChI Key KWSOXPPLWZODNZ-UHFFFAOYSA-N
Molecular Formula C17H30O2
Exact Mass 266.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s364.d1909
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1909
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
  • 1-(furan-2-yl)tridecan-1-ol
    • 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 : 17.96822071352622

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    103910024 PubChem: Thomson Pharma
    15721351 PubChem
    J718.949D Nikkaji
    The data in this table is sourced from UniChem at EBI.