Dataset

11a_Varian.

This dataset contains NMR spectra obtained for the sample -11a_Varian name: 11a_HEE294_20140210_01.13C.fid phc0: 54.1766304348 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776081 spectralWidth: 248.67511844950263 numberOfPoints: 32768 frequencyOffset: 11059.019000001059 originFrequency: 100.5438351 name: 11a_HEE294_20140210_01.1H.fid phc0: -76.2834772703 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874413 spectralWidth: 17.968220820172853 numberOfPoints: 16384 frequencyOffset: 2801.4869999992698 originFrequency: 399.8146759 name: 11a_HEE294_20140210_01.dept.fid phc0: -38.7 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776081 spectralWidth: 248.67511844950263 numberOfPoints: 32768 frequencyOffset: 11059.019000001059 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-11-15-14(18)12-13-16(19-15)20-17(2,3)4/h12-13,15-16H,5-11H2,1-4H3/t15-,16?/m0/s1
SMILES CCCCCCCC[C@@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key BMHCBBLRQFEKMM-VYRBHSGPSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s332.d1857
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1857
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
  • (6S)-2-[(2-methylpropan-2-yl)oxy]-6-octyl-2H-pyran-5-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 : 17.968220820172853

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416630 PubChem
    The data in this table is sourced from UniChem at EBI.