Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C10H8N6O2/c1-7-6-10(12-14-11)13-15(7)8-2-4-9(5-3-8)16(17)18/h2-6H,1H3
SMILES	[N-]=[N+]=Nc1nn(c(c1)C)c1ccc(cc1)[N+](=O)[O-]
InChI Key	HISYWPICEGTOTQ-UHFFFAOYSA-N
Molecular Formula	C10H8N6O2
Exact Mass	244.210 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HISYWPICEGTOTQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HISYWPICEGTOTQ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:43:08.968976
MetadataModified	2024-09-07T21:16:43.605664
MetadataPublished	2022-01-10
Related Molecule

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

Data-Source Molecule ID	Data-Source
162394347	PubChem
The data in this table is sourced from UniChem at EBI.