Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C23H12F15NO2/c1-41-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)39-16(40)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-5,7-8,10-11H,1H3,(H,39,40)
SMILES	COc1ccc(cc1)C#Cc1ccccc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	JAVCPWWJHCJLJQ-UHFFFAOYSA-N
Molecular Formula	C23H12F15NO2
Exact Mass	619.323 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JAVCPWWJHCJLJQ-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/JAVCPWWJHCJLJQ-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:45:33.009989
MetadataModified	2024-09-07T23:33:15.364006
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889729	PubChem
The data in this table is sourced from UniChem at EBI.