Dataset

6c_Varian[6c_HEE230_20131114_03.13C.fid]

This dataset contains NMR spectra obtained for the sample -6c_Varian name: 6c_HEE230_20131114_03.13C.fid phc0: 116.789904056 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776699 spectralWidth: 248.6751169208348 numberOfPoints: 32768 frequencyOffset: 11058.400999999663 originFrequency: 100.5438351 name: 6c_HEE230_20131114_03.1H.fid phc0: 35.0898289174 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.81187378 spectralWidth: 17.96822084862094 numberOfPoints: 16384 frequencyOffset: 2802.1200000125646 originFrequency: 399.8146759 name: 6c_HEE230_20131114_03.dept.fid phc0: 24.3967391304 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776699 spectralWidth: 248.6751169208348 numberOfPoints: 32768 frequencyOffset: 11058.400999999663 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
SMILES CCCCCCCCCCCCC(=O)C1=CC=CO1
InChI Key AUBNJEAJFRJWQJ-UHFFFAOYSA-N
Molecular Formula C17H28O2
Exact Mass 264.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s377.d1947
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1947
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-one
    • 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 : 248.6751169208348

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    13464345 PubChem
    J397.286K Nikkaji
    SCHEMBL18825664 SureChEMBL
    The data in this table is sourced from UniChem at EBI.