Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C19H12F15N3O3/c1-39-11(40-2)9-10(36-8-6-4-3-5-7(8)35-9)37-12(38)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-6,11H,1-2H3,(H,36,37,38)
SMILES	COC(c1nc2ccccc2nc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
InChI Key	RAIYLFDXXXLNJU-UHFFFAOYSA-N
Molecular Formula	C19H12F15N3O3
Exact Mass	615.293 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RAIYLFDXXXLNJU-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/RAIYLFDXXXLNJU-UHFFFAOYSA-N/CHMO0000597
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:23:54.071930
MetadataModified	2024-09-07T20:52:16.293636
MetadataPublished	2021-12-26

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

Data-Source Molecule ID	Data-Source
162369941	PubChem
The data in this table is sourced from UniChem at EBI.