Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C29H17F17N4O/c1-14-15(48-17-7-3-2-6-16(17)47-14)10-11-20-21(50-19-9-5-4-8-18(19)49-20)51-13-12-22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h2-11H,12-13H2,1H3/b11-10+
SMILES	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	LLUMMIBMIRCYOD-ZHACJKMWSA-N
Molecular Formula	C29H17F17N4O
Exact Mass	760.444 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/LLUMMIBMIRCYOD-ZHACJKMWSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:27:00.730482
MetadataModified	2024-09-07T22:04:27.951298
MetadataPublished	2022-04-17

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

Data-Source Molecule ID	Data-Source
163197187	PubChem
The data in this table is sourced from UniChem at EBI.