Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C22H14F3NO/c23-22(24,25)19-14-12-18(13-15-19)21(27)26-20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H,26,27)
SMILES	O=C(c1ccc(cc1)C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key	KBHXJGARDJLTNF-UHFFFAOYSA-N
Molecular Formula	C22H14F3NO
Exact Mass	365.348 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/KBHXJGARDJLTNF-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/KBHXJGARDJLTNF-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:22:34.877960
MetadataModified	2024-09-07T23:02:56.161304
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
164889698	PubChem
The data in this table is sourced from UniChem at EBI.