Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C21H13F17N2O2/c1-8-12(40-11-5-3-2-4-10(11)39-8)13-41-7-9(42-13)6-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-5,9,13H,6-7H2,1H3
SMILES	Cc1nc2ccccc2nc1C1OCC(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	VWKVPNYVURHBJP-UHFFFAOYSA-N
Molecular Formula	C21H13F17N2O2
Exact Mass	648.313 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VWKVPNYVURHBJP-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/VWKVPNYVURHBJP-UHFFFAOYSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:36:46.590791
MetadataModified	2024-09-07T22:12:27.360820
MetadataPublished	2022-04-17

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

Data-Source Molecule ID	Data-Source
163197211	PubChem
The data in this table is sourced from UniChem at EBI.