Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C24H18F17N5O/c1-2-3-6-12-11-46(45-44-12)15-16(43-14-8-5-4-7-13(14)42-15)47-10-9-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h4-5,7-8,11H,2-3,6,9-10H2,1H3
SMILES	CCCCc1nnn(c1)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	HZQOUMBELHPHLV-UHFFFAOYSA-N
Molecular Formula	C24H18F17N5O
Exact Mass	715.405 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/HZQOUMBELHPHLV-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/HZQOUMBELHPHLV-UHFFFAOYSA-N/CHMO0000597
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:59:07.228000
MetadataModified	2024-09-07T21:37:40.555152
MetadataPublished	2022-02-11

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

Data-Source Molecule ID	Data-Source
162623401	PubChem
The data in this table is sourced from UniChem at EBI.