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/C13H8ClFN2/c14-11-2-1-7-17-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h1-8H
SMILES Fc1ccc(cc1)c1cn2c(n1)c(Cl)ccc2
InChI Key PGCCRJVQXFSFNG-UHFFFAOYSA-N
Molecular Formula C13H8ClFN2
Exact Mass 246.667 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:35:53.813287
MetadataModified 2024-09-08T00:35:53.813292
MetadataPublished 2023-03-03
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID30591855 EPA CompTox Dashboard
J1.897.473H Nikkaji
ZINC000071255961 ZINC
17976285 PubChem
SCHEMBL5739105 SureChEMBL
The data in this table is sourced from UniChem at EBI.