Dataset

5b_JCAMP[5b_HEE298.jdx]

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3
SMILES CCCCCCCCCCC(O)C1=CC=CO1
InChI Key XDKMPPWBMLMXLH-UHFFFAOYSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s326.d1844
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1844
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
  • 1-(furan-2-yl)undecan-1-ol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : s2pul

    Spectral Width :

    number of data points : 65536 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    15789329 PubChem: Thomson Pharma
    10752445 PubChem
    J956.562K Nikkaji
    SCHEMBL2828919 SureChEMBL
    The data in this table is sourced from UniChem at EBI.