Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H15BrF2N2/c1-13-22(12-23)27-21-11-19(15-4-8-17(25)9-5-15)18(10-20(21)26-13)14-2-6-16(24)7-3-14/h2-11H,12H2,1H3
SMILES	BrCc1nc2cc(c3ccc(cc3)F)c(cc2nc1C)c1ccc(cc1)F
InChI Key	WWSDNBBIEALTLI-UHFFFAOYSA-N
Molecular Formula	C22H15BrF2N2
Exact Mass	425.269 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WWSDNBBIEALTLI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WWSDNBBIEALTLI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:38:45.295912
MetadataModified	2024-09-07T22:14:00.767720
MetadataPublished	2022-04-17
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
163197217	PubChem
The data in this table is sourced from UniChem at EBI.