Dataset

mass spectrometry (MS) ()

Chemical Info

InChI	InChI=1S/C21H18BrN5O2/c1-2-29-21(28)18-13-26(12-15-8-10-17(22)11-9-15)24-20(18)27-14-19(23-25-27)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
SMILES	CCOC(=O)c1cn(Cc2ccc(Br)cc2)nc1-n1cc(-c2ccccc2)nn1
InChI Key	VTYPYIREEKHMKL-UHFFFAOYSA-N
Molecular Formula	C21H18BrN5O2

Data and Resources

• mass spectrometry (MS) ()HTML
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Related Resources

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

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author	Gräßle, Simone, Wippert, Nicolai
Maintainer	chemotion-repository
Language	en
MetadataCreated	2024-02-18T03:50:16.990586
MetadataModified	2024-02-18T03:50:16.990591
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables