Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
SMILES ClCC(=O)CCl
InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O
Exact Mass 126.969 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-09
Related Molecule
  • 1,3-dichloropropan-2-one
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : CCP-3705

    Date : 20240219

    Start time : 15.30 h

    Label : CCP-3535

    ID : 293506

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL1231783 ChEMBL
    CHM PDBe
    DTXSID2021577 EPA CompTox Dashboard
    156485 ChEBI
    ZINC000001648213 ZINC
    J1.590C Nikkaji
    HMDB0244164 Human Metabolome Database
    DCACON CCDC
    15146581 PubChem: Thomson Pharma
    534-07-6 ACToR
    10793 PubChem
    478315 eMolecules
    CB3853746 ChemicalBook
    47695 Brenda
    UFH8559WS5 FDA SRS
    10020692 NMRShiftDB
    SCHEMBL30570 SureChEMBL
    MCULE-2048636813 Mcule
    The data in this table is sourced from UniChem at EBI.