Dataset

3c_Varian[3c_HEE308_20140217_04.1H.fid]

This dataset contains NMR spectra obtained for the sample -3c_Varian name: 3c_HEE308_20140217_04.13C.fid phc0: 52.9560300399 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277549 spectralWidth: 248.67511991138403 numberOfPoints: 32768 frequencyOffset: 11059.609999989561 originFrequency: 100.5438351 name: 3c_HEE308_20140217_04.1H.fid phc0: -78.3317443972 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875694 spectralWidth: 17.96822076260255 numberOfPoints: 16384 frequencyOffset: 2800.2060000176243 originFrequency: 399.8146759 name: 3c_HEE308_20140217_04.dept.fid phc0: -42.7299820467 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277549 spectralWidth: 248.67511991138403 numberOfPoints: 32768 frequencyOffset: 11059.609999989561 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1
SMILES CCCCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1O
InChI Key LLHNPPQNZJXJID-DOTOQJQBSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s380.d1955
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1955
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-4,5-dihydroxycyclopent-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 : 17.96822076260255

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416624 PubChem
    The data in this table is sourced from UniChem at EBI.