Dataset

4a_Varian.

This dataset contains NMR spectra obtained for the sample -4a_Varian name: 4a_HEE185_20130627_03.13C.fid phc0: 125.195836141 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776917 spectralWidth: 248.67511638159596 numberOfPoints: 32768 frequencyOffset: 11058.18299998873 originFrequency: 100.5438351 name: 4a_HEE185_20130627_03.1H.fid phc0: 95.3004020699 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874455 spectralWidth: 17.9682208182853 numberOfPoints: 16384 frequencyOffset: 2801.4449999886892 originFrequency: 399.8146759 name: 4a_HEE185_20130627_03.dept.fid phc0: -322.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776917 spectralWidth: 248.67511638159596 numberOfPoints: 32768 frequencyOffset: 11058.18299998873 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1
SMILES CCCCCCCC[C@H]1C(=O)C=C[C@@H]1O
InChI Key YVUMNOUOTTWTRW-NEPJUHHUSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s360.d1897
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1897
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
  • (4S,5R)-4-hydroxy-5-octylcyclopent-2-en-1-one
    • 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 : 17.9682208182853

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416627 PubChem
    The data in this table is sourced from UniChem at EBI.