Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
SMILES Brc1ccc2c(c1)c1cc(Br)ccc1s2
InChI Key WNEXSUAHKVAPFK-UHFFFAOYSA-N
Molecular Formula C12H6Br2S
Exact Mass 342.049 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNEXSUAHKVAPFK-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/WNEXSUAHKVAPFK-UHFFFAOYSA-N/CHMO0000596
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 2,8-dibromodibenzothiophene
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : Apr12-2021

    Date : 20210413

    Start time : 5.23 h

    Label : HT-624

    ID : 209460

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    631120 PubChem
    J356.433I Nikkaji
    1061960 eMolecules
    SCHEMBL216673 SureChEMBL
    16537415 PubChem: Thomson Pharma
    CB4158068 ChemicalBook
    MCULE-3944806867 Mcule
    ZINC000002173237 ZINC
    DTXSID40348155 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.