Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H21FN6/c1-12(2)24(13(3)4)22-20-17-15(9-19)11-23(21-17)10-14-5-7-16(18)8-6-14/h5-8,11-13H,10H2,1-4H3/b22-20+
SMILES	N#Cc1cn(nc1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)F
InChI Key	ADGUCVKMBUJWJM-LSDHQDQOSA-N
Exact Mass	328.387 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/ADGUCVKMBUJWJM-LSDHQDQOSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ADGUCVKMBUJWJM-LSDHQDQOSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:24:28.726829
MetadataModified	2024-09-23T09:20:56.595419
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : NiW-c1241.2 date : 20190904 starting time : 11.05 h instrument : spect label : SGV-2605 id : 104384 Solvent : chloroform-D1 (CDCl3)