Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C25H21F3N2O/c1-17-6-8-18(9-7-17)15-30-16-19(22-4-2-3-5-23(22)30)14-24(31)29-21-12-10-20(11-13-21)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31)
SMILES	O=C(Cc1cn(c2c1cccc2)Cc1ccc(cc1)C)Nc1ccc(cc1)C(F)(F)F
InChI Key	VRXQUHMZEDUONI-UHFFFAOYSA-N
Molecular Formula	C25H21F3N2O
Exact Mass	422.442 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VRXQUHMZEDUONI-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VRXQUHMZEDUONI-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:24:00.195606
MetadataModified	2024-09-07T15:32:59.280836
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453640	PubChem
The data in this table is sourced from UniChem at EBI.