Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H8N6/c1-8-6-11(14-16-13)15-17(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3
SMILES	[N-]=[N+]=Nc1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key	KIQBPEXSAZKVRR-UHFFFAOYSA-N
Molecular Formula	C11H8N6
Exact Mass	224.221 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:19:19.420380
MetadataModified	2024-09-08T02:19:19.420387
MetadataPublished	2024-02-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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