Dataset

3b_Varian.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1
SMILES CCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1O
InChI Key MKKDUMSLKJQOTQ-DZGCQCFKSA-N
Molecular Formula C15H26O2
Exact Mass 254.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s325.d1843
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1843
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-4,5-dihydroxycyclopent-2-en-1-one
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416622 PubChem
    The data in this table is sourced from UniChem at EBI.