Dataset

5b_Varian[5b_HEE298_20140213_05.1H.fid]

This dataset contains NMR spectra obtained for the sample -5b_Varian name: 5b_HEE298_20140213_05.13C.fid phc0: 52.3137167226 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776997 spectralWidth: 248.67511618371017 numberOfPoints: 32768 frequencyOffset: 11058.102999996321 originFrequency: 100.5438351 name: 5b_HEE298_20140213_05.1H.fid phc0: -77.1954338172 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811877033 spectralWidth: 17.96822070242563 numberOfPoints: 16384 frequencyOffset: 2798.8670000240745 originFrequency: 399.8146759 name: 5b_HEE298_20140213_05.dept.fid phc0: -37.7 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776998 spectralWidth: 248.67511618123658 numberOfPoints: 32768 frequencyOffset: 11058.101999992687 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3
SMILES CCCCCCCCCCC(O)C1=CC=CO1
InChI Key XDKMPPWBMLMXLH-UHFFFAOYSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s374.d1939
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1939
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)undecan-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 : 17.96822070242563

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    15789329 PubChem: Thomson Pharma
    10752445 PubChem
    J956.562K Nikkaji
    SCHEMBL2828919 SureChEMBL
    The data in this table is sourced from UniChem at EBI.