Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Info

molecular Image
InChI InChI=1S/C11H8Br2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
SMILES BrC(c1ccc2c(c1)cccc2)Br
InChI Key MJZLPJYZFMSVDU-UHFFFAOYSA-N
Molecular Formula C11H8Br2
Exact Mass 299.989 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000596
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 2-(dibromomethyl)naphthalene
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Temperature : 298.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Title : Jan12-2024

    Date : 20240113

    Start time : 16.26 h

    Instrument : Avance NEO

    Label : KT-644

    ID : 290265

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    11150720 PubChem
    SCHEMBL1538959 SureChEMBL
    16229415 PubChem: Thomson Pharma
    DTXSID40457054 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.