Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C9H6BrF3/c10-8-3-1-7(2-4-8)5-6-9(11,12)13/h1-6H/b6-5-
SMILES	FC(/C=C\c1ccc(cc1)Br)(F)F
InChI Key	MHLGWXXEEZEJFU-WAYWQWQTSA-N
Molecular Formula	C9H6BrF3
Exact Mass	251.043 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MHLGWXXEEZEJFU-WAYWQWQTSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/MHLGWXXEEZEJFU-WAYWQWQTSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:31:40.362686
MetadataModified	2024-09-07T12:43:53.762404
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.319.432C	Nikkaji
72793507	PubChem
The data in this table is sourced from UniChem at EBI.