Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H16N6O4/c23-27-25-11-17-9-15(21(29)30)5-7-19(17)13-1-2-14(4-3-13)20-8-6-16(22(31)32)10-18(20)12-26-28-24/h1-10H,11-12H2,(H,29,30)(H,31,32)
SMILES	[N-]=[N+]=NCc1cc(ccc1c1ccc(cc1)c1ccc(cc1CN=[N+]=[N-])C(=O)O)C(=O)O
InChI Key	FEOIDUOACXIMDW-UHFFFAOYSA-N
Molecular Formula	C22H16N6O4
Exact Mass	428.400 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FEOIDUOACXIMDW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FEOIDUOACXIMDW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:29:38.662666
MetadataModified	2024-09-07T18:24:31.931396
MetadataPublished	2020-08-06
Related Molecule

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

Data-Source Molecule ID	Data-Source
146681765	PubChem
The data in this table is sourced from UniChem at EBI.