Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C13H4F5N/c14-9-8(7-3-1-6(5-19)2-4-7)10(15)12(17)13(18)11(9)16/h1-4H
SMILES	N#Cc1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
InChI Key	LHUKISKVNWDUAO-UHFFFAOYSA-N
Molecular Formula	C13H4F5N
Exact Mass	269.170 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000597
Version
Author	Céline Leonhardt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:21:39.084749
MetadataModified	2024-09-08T03:21:39.084754
MetadataPublished	2024-04-22

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

Data-Source Molecule ID	Data-Source
49712516	PubChem: Thomson Pharma
SCHEMBL4147130	SureChEMBL
J940.916E	Nikkaji
20099990	PubChem
The data in this table is sourced from UniChem at EBI.