Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C14H10ClFN2/c1-9-6-11(15)14-17-13(8-18(14)7-9)10-4-2-3-5-12(10)16/h2-8H,1H3
SMILES	Cc1cn2cc(nc2c(c1)Cl)c1ccccc1F
InChI Key	MNWHHCRXBACDMO-UHFFFAOYSA-N
Molecular Formula	C14H10ClFN2
Exact Mass	260.694 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MNWHHCRXBACDMO-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/MNWHHCRXBACDMO-UHFFFAOYSA-N/CHMO0000597
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:44:14.724426
MetadataModified	2024-09-08T00:44:14.724431
MetadataPublished	2023-03-03

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

Data-Source Molecule ID	Data-Source
166638640	PubChem
The data in this table is sourced from UniChem at EBI.