Dataset

4a_Varian[4a_HEE185_20130627_03.dept.fid]

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.d1898
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1898
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
  • (4S,5R)-4-hydroxy-5-octylcyclopent-2-en-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 : 248.67511638159596

    number of data points : 32768 points

    relaxation time measurement : seconds

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