Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H16F3N5O/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)25-16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
SMILES	CC(n1cnc2c1ncnc2NCc1ccc(cc1)OC(F)(F)F)C
InChI Key	ACFVTUUDIKIFOX-UHFFFAOYSA-N
Molecular Formula	C16H16F3N5O
Exact Mass	351.326 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ACFVTUUDIKIFOX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/ACFVTUUDIKIFOX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:52:08.906479
MetadataModified	2024-09-07T13:14:17.802370
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427474	PubChem
The data in this table is sourced from UniChem at EBI.