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/C6H3Br2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
SMILES Brc1cccc(c1F)Br
InChI Key GPPYYGWYUFOWSR-UHFFFAOYSA-N
Molecular Formula C6H3Br2F
Exact Mass 253.894 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GPPYYGWYUFOWSR-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/GPPYYGWYUFOWSR-UHFFFAOYSA-N/CHMO0000597
Version
Author André Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:25:57.081047
MetadataModified 2024-09-08T03:25:57.081052
MetadataPublished 2024-05-15
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-006-825-926 MolPort
SCHEMBL362461 SureChEMBL
14071460 PubChem
36771642 eMolecules
CB72609389 ChemicalBook
DTXSID10555435 EPA CompTox Dashboard
ZINC000071792119 ZINC
The data in this table is sourced from UniChem at EBI.