Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H21F3N2O/c1-2-3-12-26-14-15(18-6-4-5-7-19(18)26)13-20(27)25-17-10-8-16(9-11-17)21(22,23)24/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)
SMILES	CCCCn1cc(c2c1cccc2)CC(=O)Nc1ccc(cc1)C(F)(F)F
InChI Key	DSYQXFRPIDFLBX-UHFFFAOYSA-N
Molecular Formula	C21H21F3N2O
Exact Mass	374.399 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DSYQXFRPIDFLBX-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/DSYQXFRPIDFLBX-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:57.912015
MetadataModified	2024-09-07T15:32:55.716713
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453639	PubChem
The data in this table is sourced from UniChem at EBI.