Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C39H21F17N6O2/c40-32(41,33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56)17-18-64-31-29(60-24-11-5-6-12-25(24)62-31)16-15-27-26(57-20-7-1-2-8-21(20)58-27)13-14-28-30(19-63)61-23-10-4-3-9-22(23)59-28/h1-16,19H,17-18H2/b14-13+,16-15+
SMILES	O=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	BVIOUVOOSLTMGZ-ZBMVRHCNSA-N
Molecular Formula	C39H21F17N6O2
Exact Mass	928.596 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:26:18.262785
MetadataModified	2024-09-07T22:03:52.038831
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197186	PubChem
The data in this table is sourced from UniChem at EBI.