Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C41H23F17N6O3/c42-34(43,35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58)17-20-19-66-33(67-20)32-30(62-25-11-5-6-12-26(25)64-32)16-15-28-27(59-21-7-1-2-8-22(21)60-28)13-14-29-31(18-65)63-24-10-4-3-9-23(24)61-29/h1-16,18,20,33H,17,19H2/b14-13+,16-15+
SMILES	O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/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	MKIBBHSNDASGGI-ZBMVRHCNSA-N
Molecular Formula	C41H23F17N6O3
Exact Mass	970.633 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:25:59.085349
MetadataModified	2024-09-07T22:03:34.744183
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197185	PubChem
The data in this table is sourced from UniChem at EBI.