Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H16N6O2/c1-29-21(28)17-9-7-15(8-10-17)12-26-13-18(11-22)20(24-26)27-14-19(23-25-27)16-5-3-2-4-6-16/h2-10,13-14H,12H2,1H3
SMILES	COC(=O)c1ccc(cc1)Cn1cc(c(n1)n1nnc(c1)c1ccccc1)C#N
InChI Key	YZSLXIHSIJQQMB-UHFFFAOYSA-N
Molecular Formula	C21H16N6O2
Exact Mass	384.391 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YZSLXIHSIJQQMB-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/YZSLXIHSIJQQMB-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:25:20.432179
MetadataModified	2024-09-08T02:25:20.432184
MetadataPublished	2024-02-14

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.