Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
SMILES O=Cc1c(C)cc(cc1C)C
InChI Key HIKRJHFHGKZKRI-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • 2,4,6-trimethylbenzaldehyde
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : CCP-3687

    Date : 20231213

    Start time : 10.17 h

    Label : CCP-3517

    ID : 287605

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:195893 chebi
    CHEMBL3560744 chembl
    79252 surechembl
    10254 pubchem
    4W00MG84DR fdasrs
    PD158346 probes_and_drugs
    MESPCL CCDC
    HMDB0032016 hmdb
    Molport-001-780-135 molport
    The data in this table is sourced from UniChem at EBI.