Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WFGUMAMXHLAEPG-UHFFFAOYSA-N/CHMO0000595
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Feb09-2024

    Date : 20240210

    Start time : 17.44 h

    Label : KT-683

    ID : 293135

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

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