Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H8N6/c13-6-10-7-14-16-12(10)18-8-11(15-17-18)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,16)
SMILES	N#Cc1c[nH]nc1n1nnc(c1)c1ccccc1
InChI Key	VSYUPFQKDFVQCM-UHFFFAOYSA-N
Molecular Formula	C12H8N6
Exact Mass	236.232 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/VSYUPFQKDFVQCM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VSYUPFQKDFVQCM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:55:49.545126
MetadataModified	2024-09-08T02:55:49.545132
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables