Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C29H15F17N4O2/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)11-12-52-21-19(48-16-7-3-4-8-17(16)50-21)10-9-18-20(13-51)49-15-6-2-1-5-14(15)47-18/h1-10,13H,11-12H2/b10-9+
SMILES	O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(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	RXWYWMJYBWVIPF-MDZDMXLPSA-N
Molecular Formula	C29H15F17N4O2
Exact Mass	774.428 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RXWYWMJYBWVIPF-MDZDMXLPSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/RXWYWMJYBWVIPF-MDZDMXLPSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:31:10.362901
MetadataModified	2024-09-07T22:07:53.162394
MetadataPublished	2022-04-17

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

Data-Source Molecule ID	Data-Source
163197196	PubChem
The data in this table is sourced from UniChem at EBI.