Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H12N4/c1-11-17(21-15-9-5-4-8-14(15)19-11)16-10-18-12-6-2-3-7-13(12)20-16/h2-10H,1H3
SMILES	Cc1nc2ccccc2nc1c1cnc2c(n1)cccc2
InChI Key	LTHMVEAXRSOOTA-UHFFFAOYSA-N
Molecular Formula	C17H12N4
Exact Mass	272.304 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/LTHMVEAXRSOOTA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LTHMVEAXRSOOTA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:19:33.129934
MetadataModified	2024-09-08T04:19:33.129940
MetadataPublished	2024-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables