Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H20N6O3/c1-3-32-23(30)20-14-28(13-17-6-4-5-16(11-17)12-24)26-22(20)29-15-21(25-27-29)18-7-9-19(31-2)10-8-18/h4-11,14-15H,3,13H2,1-2H3
SMILES	CCOC(=O)c1cn(nc1n1nnc(c1)c1ccc(cc1)OC)Cc1cccc(c1)C#N
InChI Key	KJMWCYALHNEPDX-UHFFFAOYSA-N
Molecular Formula	C23H20N6O3
Exact Mass	428.443 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/KJMWCYALHNEPDX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/KJMWCYALHNEPDX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:37:10.301258
MetadataModified	2024-09-08T02:37:10.301264
MetadataPublished	2024-02-14

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