Dataset

8b_Varian[8b_HEE305_20140219_04.13C.fid]

This dataset contains NMR spectra obtained for the sample -8b_Varian name: 8b_HEE305_20140219_04.13C.fid phc0: 27.1165184897 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775502 spectralWidth: 248.67511988170114 numberOfPoints: 32768 frequencyOffset: 11059.597999988568 originFrequency: 100.5438351 name: 8b_HEE305_20140219_04.1H.fid phc0: -77.7665895632 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.81187683 spectralWidth: 17.96822071154879 numberOfPoints: 16384 frequencyOffset: 2799.0699999804747 originFrequency: 399.8146759 name: 8b_HEE305_20140219_04.dept.fid phc0: -59.8005385996 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775503 spectralWidth: 248.6751198792276 numberOfPoints: 32768 frequencyOffset: 11059.596999999143 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/t14-/m1/s1
SMILES CCCCCCCCCC[C@@H](O)C1=CC=CO1
InChI Key XDKMPPWBMLMXLH-CQSZACIVSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s359.d1893
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1893
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
  • (1R)-1-(furan-2-yl)undecan-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 : 248.67511988170114

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416633 PubChem
    The data in this table is sourced from UniChem at EBI.