Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H6BrF3N2/c9-6-3-1-5(2-4-6)7(13-14-7)8(10,11)12/h1-4,13-14H
SMILES	FC(C1(NN1)c1ccc(cc1)Br)(F)F
InChI Key	JQGKKXVKQXLIPI-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3N2
Exact Mass	267.046 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JQGKKXVKQXLIPI-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/JQGKKXVKQXLIPI-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:55:23.684788
MetadataModified	2024-09-07T13:19:10.217077
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
29214009	PubChem: Thomson Pharma
17756144	PubChem
J3.611.543B	Nikkaji
The data in this table is sourced from UniChem at EBI.