Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H11N3O/c1-2-10(14)12-8-4-3-7-6-11-13-9(7)5-8/h3-6H,2H2,1H3,(H,11,13)(H,12,14)
SMILES	CCC(=O)Nc1ccc2c(c1)[nH]nc2
InChI Key	LNOMWBXWVZWSTI-UHFFFAOYSA-N
Molecular Formula	C10H11N3O
Exact Mass	189.214 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LNOMWBXWVZWSTI-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/LNOMWBXWVZWSTI-UHFFFAOYSA-N/CHMO0000630
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:15:21.144206
MetadataModified	2024-09-08T01:15:21.144214
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
60653886	PubChem
The data in this table is sourced from UniChem at EBI.