Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H16N12/c26-34-30-21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)31-35-27,19-5-13-23(14-6-19)32-36-28)20-7-15-24(16-8-20)33-37-29/h1-16H
SMILES	[N-]=[N+]=Nc1ccc(cc1)C(c1ccc(cc1)N=[N+]=[N-])(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-]
InChI Key	BVSVQXDPZJOCEV-UHFFFAOYSA-N
Molecular Formula	C25H16N12
Exact Mass	484.475 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BVSVQXDPZJOCEV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BVSVQXDPZJOCEV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:30:31.314431
MetadataModified	2024-09-08T00:30:17.741649
MetadataPublished	2023-03-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
48412538	PubChem: Thomson Pharma
J2.555.981I	Nikkaji
SCHEMBL17554275	SureChEMBL
24180127	PubChem
MUMBOM	CCDC
The data in this table is sourced from UniChem at EBI.