Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C21H14ClN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H
SMILES Clc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
InChI Key UPOMZZQMFGCHGB-UHFFFAOYSA-N
Molecular Formula C21H14ClN3
Exact Mass 343.809 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UPOMZZQMFGCHGB-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/UPOMZZQMFGCHGB-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-29
Related Molecule
  • 4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : CCP-3691

    Date : 20240124

    Start time : 14.27 h

    Label : CCP-3521

    ID : 291811

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    10871645 PubChem
    SCHEMBL699036 SureChEMBL
    CB7218369 ChemicalBook
    J1.559.016E Nikkaji
    DTXSID60446622 EPA CompTox Dashboard
    17282560 eMolecules
    15916590 PubChem: Thomson Pharma
    ZINC000035654128 ZINC
    The data in this table is sourced from UniChem at EBI.