Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H
SMILES FC(c1ccc2c(c1)nc(s2)c1ccccc1)(F)F
InChI Key PDVSHXSSPVXJNH-UHFFFAOYSA-N
Molecular Formula C14H8F3NS
Exact Mass 279.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:29:39.603451
MetadataModified 2024-09-07T17:03:15.904968
MetadataPublished 2020-02-28
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
53836503 PubChem: Thomson Pharma
SCHEMBL2138665 SureChEMBL
23031916 PubChem
J2.632.156E Nikkaji
The data in this table is sourced from UniChem at EBI.