Dataset

l-Linalool.aptjmod

Chemical Information

molecular Image
InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
SMILES C=C[C@](C)(O)CCC=C(C)C
InChI Key CDOSHBSSFJOMGT-JTQLQIEISA-N
Molecular Formula C10H18O
Exact Mass 154.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p23.s176.d747
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D747
Version
Author Agneta Prasse, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker
Maintainer
Language english
MetadataPublished 2023-12-21 13:04:19
Related Molecule
  • (3R)-3,7-dimethylocta-1,6-dien-3-ol
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001

    Temperature : 298 K

    magnetic field strength : 9.391509674744551 Tesla

    number of scans : 2048 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 180.120918220313

    number of data points : 2 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:28 chebi
    LMPR0102010013 lipidmaps
    A1EBL rcsb_pdb
    CHEMBL235672 chembl
    891312 surechembl
    443158 pubchem
    3U21E3V8I2 fdasrs
    PD001445 probes_and_drugs
    ZURSUD CCDC
    190286 brenda
    221386 brenda
    57985 brenda
    Molport-003-666-060 molport
    The data in this table is sourced from UniChem at EBI.