Dataset

4b_Varian.

This dataset contains NMR spectra obtained for the sample -4b_Varian name: 4b_HEE151_Fr50_20130305_03.13C.fid phc0: 139.175083395 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776993 spectralWidth: 248.67511619360445 numberOfPoints: 32768 frequencyOffset: 11058.106999996653 originFrequency: 100.5438351 name: 4b_HEE151_Fr50_20130305_03.1H.fid phc0: -67.2629891442 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874085 spectralWidth: 17.968220834913726 numberOfPoints: 16384 frequencyOffset: 2801.814999997987 originFrequency: 399.8146759 name: 3a_HEE307_20140217_03.13C.fid phc0: 56.4103877206 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775795 spectralWidth: 248.6751191569444 numberOfPoints: 32768 frequencyOffset: 11059.304999989195 originFrequency: 100.5438351 name: 3a_HEE307_20140217_03.1H.fid phc0: -74.4284965024 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875186 spectralWidth: 17.968220785432926 numberOfPoints: 16384 frequencyOffset: 2800.713999988602 originFrequency: 399.8146759 name: 4b_HEE151_Fr50_20130305_03.dept.fid phc0: -313.450267952 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776993 spectralWidth: 248.67511619360445 numberOfPoints: 32768 frequencyOffset: 11058.106999996653 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-14(16)11-12-15(13)17/h11-14,16H,2-10H2,1H3/t13-,14+/m1/s1
SMILES CCCCCCCCCC[C@H]1C(=O)C=C[C@@H]1O
InChI Key QASMSWCXGLQOPI-KGLIPLIRSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s368.d1922
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1922
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)-5-decyl-4-hydroxycyclopent-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 : 248.6751191569444

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416621 PubChem
    The data in this table is sourced from UniChem at EBI.