Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H16N12/c27-35-31-21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)32-36-28)26(19-5-13-23(14-6-19)33-37-29)20-7-15-24(16-8-20)34-38-30/h1-16H
SMILES	[N-]=[N+]=Nc1ccc(cc1)C(=C(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-]
InChI Key	HVSWCKSDICKONK-UHFFFAOYSA-N
Molecular Formula	C26H16N12
Exact Mass	496.486 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HVSWCKSDICKONK-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HVSWCKSDICKONK-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:27:14.154193
MetadataModified	2024-09-08T00:27:28.610845
MetadataPublished	2023-03-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638631	PubChem
The data in this table is sourced from UniChem at EBI.