Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C16H15BrS2/c17-16-7-14-5-6-15(16)11-19-9-13-3-1-12(2-4-13)8-18-10-14/h1-7H,8-11H2
SMILES Brc1cc2CSCc3ccc(CSCc1cc2)cc3
InChI Key WFGUMAMXHLAEPG-UHFFFAOYSA-N
Molecular Formula C16H15BrS2
Exact Mass 351.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFGUMAMXHLAEPG-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/WFGUMAMXHLAEPG-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 6-bromo-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Feb09-2024

    date : 20240209

    starting time : 12.47 h

    instrument : Avance NEO

    label : KT-683

    id : 293135

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.