Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11N3O/c1-9(15)13-10-3-5-11(6-4-10)14-8-2-7-12-14/h2-8H,1H3,(H,13,15)
SMILES	CC(=O)Nc1ccc(cc1)n1cccn1
InChI Key	NYVWCINEVLYKFY-UHFFFAOYSA-N
Molecular Formula	C11H11N3O
Exact Mass	201.225 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NYVWCINEVLYKFY-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/NYVWCINEVLYKFY-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:41:07.688500
MetadataModified	2024-09-07T14:30:51.158143
MetadataPublished	2018-07-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
39463467	PubChem
MCULE-6277868317	Mcule
The data in this table is sourced from UniChem at EBI.