Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H12N12/c22-31-28-16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)29-32-23)27-21(26-19)15-5-11-18(12-6-15)30-33-24/h1-12H
SMILES	[N-]=[N+]=Nc1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-]
InChI Key	GJUZUVZHQFFFSM-UHFFFAOYSA-N
Molecular Formula	C21H12N12
Exact Mass	432.400 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GJUZUVZHQFFFSM-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GJUZUVZHQFFFSM-UHFFFAOYSA-N/CHMO0000593
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:29:29.288486
MetadataModified	2024-09-08T00:29:24.001270
MetadataPublished	2023-03-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
166638633	PubChem
The data in this table is sourced from UniChem at EBI.