Dataset

Eucalyptol.aptjmod

Chemical Information

molecular Image
InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES CC12CCC(CC1)C(C)(C)O2
InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula C10H18O
Exact Mass 154.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p39.s231.d1335
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1335
Version
Author Wilma Neumann, Hans‐Ullrich Siehl, Klaus‐Peter Zeller, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2023-12-21 16:11:36
Related Molecule
  • 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 298 K

    magnetic field strength : 16.441341131547752 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 80.2210086942565

    number of data points : 2 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    LMPR0102090019 lipidmaps
    CHEMBL485259 chembl
    19622 surechembl
    2758 pubchem
    RV6J6604TK fdasrs
    2464 gtopdb
    PD002333 probes_and_drugs
    239929 brenda
    100697 bindingdb
    109978 bindingdb
    51121716 bindingdb
    51525195 bindingdb
    Molport-003-929-343 molport
    4259 drugcentral
    The data in this table is sourced from UniChem at EBI.