Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H17N5O/c22-16(12-6-2-1-3-7-12)21-11-13-10-20(14-8-4-5-9-14)18-15(13)17-19-21/h1-3,6-7,10,14H,4-5,8-9,11H2
SMILES	O=C(c1ccccc1)N1N=Nc2c(C1)cn(n2)C1CCCC1
InChI Key	JUJUWEBLNYJZJO-UHFFFAOYSA-N
Molecular Formula	C16H17N5O
Exact Mass	295.339 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JUJUWEBLNYJZJO-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JUJUWEBLNYJZJO-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:46:16.900835
MetadataModified	2024-09-07T20:03:41.438250
MetadataPublished	2021-07-11
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
155928546	PubChem
The data in this table is sourced from UniChem at EBI.