Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2
SMILES Cc1cc(O)cc(c1)O.O
InChI Key NBKPNAMTHBIMLA-UHFFFAOYSA-N
Exact Mass 142.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NBKPNAMTHBIMLA-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/NBKPNAMTHBIMLA-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-20
Related Molecule
  • 5-methylbenzene-1,3-diol;hydrate
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : CCP-3658

    Date : 20231031

    Start time : 23.17 h

    Label : CCP-3487

    ID : 281625

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    3083941 PubChem
    6153-39-5 ACToR
    SCHEMBL236740 SureChEMBL
    711567 eMolecules
    CB9246232 ChemicalBook
    DTXSID60210522 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.