Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C19H9F17N2O2/c20-12(21,5-6-40-11-10(7-39)37-8-3-1-2-4-9(8)38-11)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h1-4,7H,5-6H2
SMILES	O=Cc1nc2ccccc2nc1OCCC(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	QYXAQLFFMYZTEL-UHFFFAOYSA-N
Molecular Formula	C19H9F17N2O2
Exact Mass	620.260 g/mol

Data and Resources

• 19F nuclear magnetic resonance spectroscopy (19F NMR)HTML
  Explore

  • More information
  • Go to resource

• 19f-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QYXAQLFFMYZTEL-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/QYXAQLFFMYZTEL-UHFFFAOYSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:24:38.425773
MetadataModified	2024-09-07T20:53:11.358185
MetadataPublished	2021-12-26

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

Data-Source Molecule ID	Data-Source
162369944	PubChem
The data in this table is sourced from UniChem at EBI.