Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C19H11F17N2O/c1-8-11(38-10-5-3-2-4-9(10)37-8)39-7-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-5H,6-7H2,1H3
SMILES	Cc1nc2ccccc2nc1OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	XQQIOPIFKLYXMT-UHFFFAOYSA-N
Molecular Formula	C19H11F17N2O
Exact Mass	606.276 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/XQQIOPIFKLYXMT-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/XQQIOPIFKLYXMT-UHFFFAOYSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:24:20.766136
MetadataModified	2024-09-07T20:52:50.324328
MetadataPublished	2021-12-26

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

Data-Source Molecule ID	Data-Source
162369943	PubChem
The data in this table is sourced from UniChem at EBI.