Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C9H6BrF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+
SMILES	Brc1ccccc1/C=C/C(F)(F)F
InChI Key	YMRCGKMNQQSELL-AATRIKPKSA-N
Molecular Formula	C9H6BrF3
Exact Mass	251.043 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YMRCGKMNQQSELL-AATRIKPKSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/YMRCGKMNQQSELL-AATRIKPKSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:32:09.429766
MetadataModified	2024-09-07T12:44:38.473130
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
J3.371.189A	Nikkaji
ZINC000204759580	ZINC
73427433	PubChem
J3.009.776I	Nikkaji
The data in this table is sourced from UniChem at EBI.