Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C31H17F17N4O3/c32-24(33,25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48)11-14-13-54-23(55-14)22-20(50-17-7-3-4-8-18(17)52-22)10-9-19-21(12-53)51-16-6-2-1-5-15(16)49-19/h1-10,12,14,23H,11,13H2/b10-9+
SMILES	O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(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	QVGHOFCXDAFLBK-MDZDMXLPSA-N
Molecular Formula	C31H17F17N4O3
Exact Mass	816.465 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QVGHOFCXDAFLBK-MDZDMXLPSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/QVGHOFCXDAFLBK-MDZDMXLPSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:24:46.983275
MetadataModified	2024-09-07T22:02:35.764615
MetadataPublished	2022-04-17

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

Data-Source Molecule ID	Data-Source
163197183	PubChem
The data in this table is sourced from UniChem at EBI.