Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C23H16F3NO/c24-23(25,26)18-12-10-16(11-13-18)14-27-15-20(19-8-4-5-9-21(19)27)22(28)17-6-2-1-3-7-17/h1-13,15H,14H2
SMILES	O=C(c1cn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F)c1ccccc1
InChI Key	NJLFBDWFRVYECV-UHFFFAOYSA-N
Molecular Formula	C23H16F3NO
Exact Mass	379.374 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NJLFBDWFRVYECV-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NJLFBDWFRVYECV-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:55.549476
MetadataModified	2024-09-07T15:32:52.195361
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453638	PubChem
The data in this table is sourced from UniChem at EBI.