Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H28N18/c45-57-51-37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)52-58-46,33-9-21-39(22-10-33)53-59-47)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)54-60-48,35-13-25-41(26-14-35)55-61-49)36-15-27-42(28-16-36)56-62-50/h1-28H
SMILES	[N-]=[N+]=Nc1ccc(cc1)C(c1ccc(cc1)N=[N+]=[N-])(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)C(c1ccc(cc1)N=[N+]=[N-])(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-]
InChI Key	XBMPWLBNOBSWSA-UHFFFAOYSA-N
Molecular Formula	C44H28N18
Exact Mass	808.814 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XBMPWLBNOBSWSA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XBMPWLBNOBSWSA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:28:19.443197
MetadataModified	2024-09-08T00:28:22.638702
MetadataPublished	2023-03-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638632	PubChem
The data in this table is sourced from UniChem at EBI.