Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C19H7F19N2O2/c20-11(21,6-42-10-9(5-41)39-7-3-1-2-4-8(7)40-10)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h1-5H,6H2
SMILES	O=Cc1nc2ccccc2nc1OCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	XTPSOYVOBMZQAN-UHFFFAOYSA-N
Molecular Formula	C19H7F19N2O2
Exact Mass	656.241 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XTPSOYVOBMZQAN-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/XTPSOYVOBMZQAN-UHFFFAOYSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:23:21.010648
MetadataModified	2024-09-07T20:51:35.769416
MetadataPublished	2021-12-26

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

Data-Source Molecule ID	Data-Source
162369940	PubChem
The data in this table is sourced from UniChem at EBI.