Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C15H9F3O2/c16-15(17,18)12-8-6-11(7-9-12)14(20)13(19)10-4-2-1-3-5-10/h1-9H
SMILES	O=C(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F
InChI Key	BPFIQBYBWZLIJI-UHFFFAOYSA-N
Exact Mass	278.226 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BPFIQBYBWZLIJI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BPFIQBYBWZLIJI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	title : Jan17-2025 date : 20250117 starting time : 14.03 h label : AVC-617 id : 338143 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
2834217	surechembl
11821931	pubchem
The data in this table is sourced from UniChem at EBI.