Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C39H23F17N6O/c1-20-21(58-23-9-3-2-8-22(23)57-20)14-15-28-29(60-25-11-5-4-10-24(25)59-28)16-17-30-31(62-27-13-7-6-12-26(27)61-30)63-19-18-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h2-17H,18-19H2,1H3/b15-14+,17-16+
SMILES	Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/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	QCGQHEFTBLBCCJ-JLXBFWJWSA-N
Molecular Formula	C39H23F17N6O
Exact Mass	914.612 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QCGQHEFTBLBCCJ-JLXBFWJWSA-N/CHMO0000597.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QCGQHEFTBLBCCJ-JLXBFWJWSA-N/CHMO0000597.1
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:32:54.147997
MetadataModified	2024-09-07T22:09:22.161091
MetadataPublished	2022-04-17

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

Data-Source Molecule ID	Data-Source
163197202	PubChem
The data in this table is sourced from UniChem at EBI.