Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12F4S2/c17-13-11-7-21-5-9-1-2-10(4-3-9)6-22-8-12(15(13)19)16(20)14(11)18/h1-4H,5-8H2
SMILES Fc1c(F)c2CSCc3ccc(CSCc1c(c2F)F)cc3
InChI Key XBJZUTIEBXAWAP-UHFFFAOYSA-N
Molecular Formula C16H12F4S2
Exact Mass 344.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XBJZUTIEBXAWAP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XBJZUTIEBXAWAP-UHFFFAOYSA-N/CHMO0000595
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-02
Related Molecule
  • 6,7,17,18-tetrafluoro-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5(18),6,8(17),12(16),13-hexaene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13542015 PubChem
    The data in this table is sourced from UniChem at EBI.