Dataset

8b_Varian.

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.d1894
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1894
Version
Author Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19 09:20:10
Related Molecule
  • (1R)-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 : 17.96822071154879

    number of data points : 16384 points

    relaxation time measurement : seconds

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