19F nuclear magnetic resonance spectroscopy (19F NMR)

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Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image

InChI	InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
SMILES	N#Cc1ccc(cc1N)F
InChI Key	CBXKVIFVKCNVGJ-UHFFFAOYSA-N
Exact Mass	136.126 g/mol

Data and Resources

19F nuclear magnetic resonance spectroscopy (19F NMR)HTML

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Metadata Information

Field	Value
DOI	10.14272/CBXKVIFVKCNVGJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/CBXKVIFVKCNVGJ-UHFFFAOYSA-N/CHMO0000597
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-12
Related Molecule

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-1863134491	Mcule
9942158	PubChem
14916064	PubChem: Thomson Pharma
SCHEMBL404482	SureChEMBL
18604342	eMolecules
CB11263751	ChemicalBook
ZINC000016159342	ZINC
J2.267.840J	Nikkaji
DTXSID80433079	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.