Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
SMILES	CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C
InChI Key	ZMCDNTWMTVMOAV-UHFFFAOYSA-N
Molecular Formula	C16H16F3N5
Exact Mass	335.327 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:39:18.947964
MetadataModified	2024-09-07T12:01:44.299614
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427276	PubChem
The data in this table is sourced from UniChem at EBI.