Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H7N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-4,9H,5H2
SMILES	c1ccc2c(-n3nnnc3CN2)c1
InChI Key	JJCQHCJBVSOFTM-UHFFFAOYSA-N
Molecular Formula	C8H7N5
Exact Mass	173.175 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/JJCQHCJBVSOFTM-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JJCQHCJBVSOFTM-UHFFFAOYSA-N/CHMO0000593
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:05:33.419247
MetadataModified	2024-09-07T21:46:02.400079
MetadataPublished	2022-02-11

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