Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
SMILES O=Cc1cccc(c1)C
InChI Key OVWYEQOVUDKZNU-UHFFFAOYSA-N
Molecular Formula C8H8O
Exact Mass 120.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OVWYEQOVUDKZNU-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/OVWYEQOVUDKZNU-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-19
Related Molecule
  • 3-methylbenzaldehyde
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : CCP-3688

    Date : 20231213

    Start time : 9.32 h

    Label : CCP-3518

    ID : 287606

    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:28476 chebi
    CHEMBL4475423 chembl
    29456572 surechembl
    65797 surechembl
    12105 pubchem
    OWH6650C4Y fdasrs
    PD157977 probes_and_drugs
    11138 brenda
    124431 brenda
    25820 brenda
    2710 brenda
    36483 brenda
    55795 brenda
    HMDB0029637 hmdb
    Molport-000-158-669 molport
    85649 bindingdb
    The data in this table is sourced from UniChem at EBI.