Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H8BrF3O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)14(16,17)18/h1-8H
SMILES	O=C(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)Br
InChI Key	JEYJVNRENCIQJH-UHFFFAOYSA-N
Molecular Formula	C14H8BrF3O
Exact Mass	329.112 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JEYJVNRENCIQJH-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/JEYJVNRENCIQJH-UHFFFAOYSA-N/IR
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:27:42.557201
MetadataModified	2024-09-07T12:37:55.491795
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16147533	PubChem: Thomson Pharma
J983.016B	Nikkaji
11077990	PubChem
The data in this table is sourced from UniChem at EBI.