Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H23F3N6O2/c1-19(2,3)31-18(30)24-7-8-29-12-28-15-16(26-11-27-17(15)29)25-10-13-5-4-6-14(9-13)20(21,22)23/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,30)(H,25,26,27)
SMILES	O=C(OC(C)(C)C)NCCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F
InChI Key	LZLOWOKZZGJPIW-UHFFFAOYSA-N
Molecular Formula	C20H23F3N6O2
Exact Mass	436.431 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:34:03.991579
MetadataModified	2024-09-07T11:53:24.026926
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427252	PubChem
The data in this table is sourced from UniChem at EBI.