Dataset

4c_Varian.

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.d1942
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1942
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-dodecyl-4-hydroxycyclopent-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 : 17.968220901472368

    number of data points : 16384 points

    relaxation time measurement : seconds

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