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/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H
SMILES Clc1cc(cn2c1nc(c2)c1ccccc1)C(F)(F)F
InChI Key ATHNSQRFCXRPMB-UHFFFAOYSA-N
Molecular Formula C14H8ClF3N2
Exact Mass 296.675 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ATHNSQRFCXRPMB-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ATHNSQRFCXRPMB-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:39:01.489245
MetadataModified 2024-09-08T00:39:01.489251
MetadataPublished 2023-03-03
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1376360 ChEMBL
4885758 eMolecules
2725829 PubChem
MCULE-1695671424 Mcule
49504 BindingDB
ZINC000000074217 ZINC
The data in this table is sourced from UniChem at EBI.