Dataset

10a_Varian.

This dataset contains NMR spectra obtained for the sample -10a_Varian name: 10a_HEE290_20140206_02.13C.fid phc0: 52.3877368293 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776239 spectralWidth: 248.67511805867815 numberOfPoints: 32768 frequencyOffset: 11058.86099999509 originFrequency: 100.5438351 name: 10a_HEE290_20140206_02.1H.fid phc0: -73.9172207065 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874073 spectralWidth: 17.968220835453025 numberOfPoints: 16384 frequencyOffset: 2801.826999984769 originFrequency: 399.8146759 name: 10a_HEE290_20140206_02.dept.fid phc0: -37.6760869565 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776239 spectralWidth: 248.67511805867815 numberOfPoints: 32768 frequencyOffset: 11058.86099999509 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3/t12-,13?/m1/s1
SMILES CCCCCCCC[C@H]1OC(O)C=CC1=O
InChI Key IWXIQYYOEMWJQO-PZORYLMUSA-N
Molecular Formula C13H22O3
Exact Mass 226.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s328.d1846
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1846
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
  • (6R)-2-hydroxy-6-octyl-2H-pyran-5-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 : 248.67511805867815

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416639 PubChem
    The data in this table is sourced from UniChem at EBI.