Dataset

11b_Varian.

This dataset contains NMR spectra obtained for the sample -11b_Varian name: 11b_HEE312_20140221_01.13C.fid phc0: 54.0359066427 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775628 spectralWidth: 248.67511957003103 numberOfPoints: 32768 frequencyOffset: 11059.47199999946 originFrequency: 100.5438351 name: 11b_HEE312_20140221_01.1H.fid phc0: -77.8955904303 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875238 spectralWidth: 17.96822078309596 numberOfPoints: 16384 frequencyOffset: 2800.661999970089 originFrequency: 399.8146759 name: 11b_HEE312_20140221_01.dept.fid phc0: -37.8 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775628 spectralWidth: 248.67511957003103 numberOfPoints: 32768 frequencyOffset: 11059.47199999946 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-13-17-16(20)14-15-18(21-17)22-19(2,3)4/h14-15,17-18H,5-13H2,1-4H3/t17-,18?/m0/s1
SMILES CCCCCCCCCC[C@@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key KLVPWNXZZLQNQO-ZENAZSQFSA-N
Molecular Formula C19H34O3
Exact Mass 310.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s342.d1871
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1871
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)-6-decyl-2-[(2-methylpropan-2-yl)oxy]-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 : 17.96822078309596

    number of data points : 16384 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416637 PubChem
    The data in this table is sourced from UniChem at EBI.