Dataset

mass spectrometry (MS) ()

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(Cn2cc(C#N)c(-n3cc(-c4ccccc4)nn3)n2)cc1
InChI Key	YZSLXIHSIJQQMB-UHFFFAOYSA-N
Molecular Formula	C21H16N6O2

Data and Resources

• mass spectrometry (MS) ()HTML
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• mass-spectrometry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/YZSLXIHSIJQQMB-UHFFFAOYSA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source
Version
Author	Gräßle, Simone, Wippert, Nicolai
Maintainer	chemotion-repository
Language	en
MetadataCreated	2024-02-18T04:05:49.100133
MetadataModified	2024-02-18T04:05:49.100137
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables