Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H13N5O/c1-10(19)18-9-12-8-17(15-13(12)14-16-18)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3
SMILES	CC(=O)N1N=Nc2c(C1)cn(n2)Cc1ccccc1
InChI Key	PGERMRZARQFUFX-UHFFFAOYSA-N
Molecular Formula	C13H13N5O
Exact Mass	255.275 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PGERMRZARQFUFX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/PGERMRZARQFUFX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:59:44.702634
MetadataModified	2024-09-07T20:20:51.207119
MetadataPublished	2021-07-11
Related Molecule

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

Data-Source Molecule ID	Data-Source
155928556	PubChem
The data in this table is sourced from UniChem at EBI.