Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H17BrF2N2/c23-18-12-14-4-8-16(18)9-5-15-7-11-17(10-6-14)21(13-15)26-27-22-19(24)2-1-3-20(22)25/h1-4,7-8,11-13H,5-6,9-10H2/b27-26+
SMILES	Fc1cccc(c1/N=N/c1cc2ccc1CCc1ccc(CC2)c(c1)Br)F
InChI Key	OTKUMVPKUYFCDX-CYYJNZCTSA-N
Molecular Formula	C22H17BrF2N2
Exact Mass	427.285 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000593
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:05:41.660617
MetadataModified	2024-09-08T04:05:41.660622
MetadataPublished	2024-07-10

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