Dataset

4c_Varian[4c_HEE161_20130416_01.13C.fid]

This dataset contains NMR spectra obtained for the sample -4c_Varian name: 4c_HEE161_20130416_01.13C.fid phc0: 142.088879206 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277739 spectralWidth: 248.67511521159614 numberOfPoints: 32768 frequencyOffset: 11057.709999988674 originFrequency: 100.5438351 name: 4c_HEE161_20130416_01.1H.fid phc0: 104.150845036 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811872604 spectralWidth: 17.968220901472368 numberOfPoints: 16384 frequencyOffset: 2803.296000024602 originFrequency: 399.8146759 name: 4c_HEE161_20130416_01.dept.fid phc0: -318.960526316 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277739 spectralWidth: 248.67511521159614 numberOfPoints: 32768 frequencyOffset: 11057.709999988674 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(18)13-14-17(15)19/h13-16,18H,2-12H2,1H3/t15-,16+/m1/s1
SMILES CCCCCCCCCCCC[C@H]1C(=O)C=C[C@@H]1O
InChI Key WVMZBDMNLNWZON-CVEARBPZSA-N
Molecular Formula C17H30O2
Exact Mass 266.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s375.d1941
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1941
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)-5-dodecyl-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 : 248.67511521159614

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416620 PubChem
    The data in this table is sourced from UniChem at EBI.