Dataset

13b_Varian.

This dataset contains NMR spectra obtained for the sample -13b_Varian name: 13b_HEE314_20140224_01.13C.fid phc0: 54.6321648712 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775683 spectralWidth: 248.67511943398452 numberOfPoints: 32768 frequencyOffset: 11059.416999998462 originFrequency: 100.5438351 name: 13b_HEE314_20140224_01.1H.fid phc0: -78.0632019342 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875721 spectralWidth: 17.968220761389123 numberOfPoints: 16384 frequencyOffset: 2800.179000018943 originFrequency: 399.8146759 name: 13b_HEE314_20140224_01.dept.fid phc0: -35.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775683 spectralWidth: 248.67511943398452 numberOfPoints: 32768 frequencyOffset: 11059.416999998462 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1
SMILES CCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key UUGZTQBOKIWCDV-HKUYNNGSSA-N
Molecular Formula C19H34O3
Exact Mass 310.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s373.d1935
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1935
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-5-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-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 : 248.67511943398452

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416628 pubchem
    The data in this table is sourced from UniChem at EBI.