Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H11N3O/c1-2-10(16-5-1)7-13-9-3-4-11-12(6-9)15-8-14-11/h1-6,8,13H,7H2,(H,14,15)
SMILES	c1coc(c1)CNc1ccc2c(c1)[nH]cn2
InChI Key	HIUMIDUFEJBHNY-UHFFFAOYSA-N
Molecular Formula	C12H11N3O
Exact Mass	213.235 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/HIUMIDUFEJBHNY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HIUMIDUFEJBHNY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:23:42.912536
MetadataModified	2024-09-08T01:23:42.912541
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables