Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C18H10F17N3O/c19-11(20,5-6-39-10-9(36)37-7-3-1-2-4-8(7)38-10)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1-4H,5-6H2,(H2,36,37)
SMILES	Nc1nc2ccccc2nc1OCCC(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	VVNPRYRWMNIXCI-UHFFFAOYSA-N
Molecular Formula	C18H10F17N3O
Exact Mass	607.264 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/VVNPRYRWMNIXCI-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/VVNPRYRWMNIXCI-UHFFFAOYSA-N/CHMO0000597
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:58:31.453034
MetadataModified	2024-09-07T21:36:54.711578
MetadataPublished	2022-02-11

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

Data-Source Molecule ID	Data-Source
162623386	PubChem
The data in this table is sourced from UniChem at EBI.