Dataset

5a_Varian[5a_HEE184_2_20130614_01.dept.fid]

This dataset contains NMR spectra obtained for the sample -5a_Varian name: 5a_HEE184_2_20130614_01.13C.fid phc0: -51.5109489052 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351 name: 5a_HEE184_2_20130614_01.1H.fid phc0: 178.558408091 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876855 spectralWidth: 17.96822071042525 numberOfPoints: 16384 frequencyOffset: 2799.045000017486 originFrequency: 399.8146759 name: 5a_HEE184_2_20130614_01.dept.fid phc0: -146 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3
SMILES CCCCCCCCC(O)C1=CC=CO1
InChI Key WCDUEUSLTDIZHW-UHFFFAOYSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s363.d1907
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1907
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)nonan-1-ol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['13C']

    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 : 248.67511736360427

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    10679980 pubchem
    The data in this table is sourced from UniChem at EBI.