Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
SMILES OC(c1ccc(cc1)F)C(=O)O
InChI Key RWCMOQXHIDWDDJ-UHFFFAOYSA-N
Exact Mass 170.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RWCMOQXHIDWDDJ-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/RWCMOQXHIDWDDJ-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:32:22.576726
MetadataModified 2024-09-23T09:26:33.489574
MetadataPublished 2024-08-19
Related Molecule
  • 2-(4-fluorophenyl)-2-hydroxyacetic acid
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Title : SG-CCP-3765

    Date : 20240817

    Start time : 1.01 h

    Instrument : spect

    Label : CCP-3584

    ID : 321770

    Solvent : DMSO

    Data-Source Molecule ID Data-Source
    CHEMBL2003248 ChEMBL
    884304 eMolecules
    SCHEMBL196919 SureChEMBL
    MCULE-8562671113 Mcule
    61080 Brenda
    J213.632E Nikkaji
    CB2285960 ChemicalBook
    98068 PubChem
    The data in this table is sourced from UniChem at EBI.