Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XBJZUTIEBXAWAP-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:56:27.704499
MetadataModified 2024-09-07T16:19:48.367170
MetadataPublished 2020-01-02
Related Molecule
Field Value
Measurement Technique 1H 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.