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/C8H7F2NO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
SMILES COC(=O)c1cc(F)c(cc1F)N
InChI Key WFHMJOPCOWABHH-UHFFFAOYSA-N
Molecular Formula C8H7F2NO2
Exact Mass 187.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFHMJOPCOWABHH-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WFHMJOPCOWABHH-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:33:49.911060
MetadataModified 2024-09-08T01:33:49.911064
MetadataPublished 2023-09-14
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
67271045 PubChem
ZINC000095803906 ZINC
DTXSID50736721 EPA CompTox Dashboard
CB72639818 ChemicalBook
SCHEMBL2080318 SureChEMBL
The data in this table is sourced from UniChem at EBI.