Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H27N9/c1-19(34-37-31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)35-38-32)18-30(17-28)27-14-8-24(9-15-27)21(3)36-39-33/h4-21H,1-3H3
SMILES	CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(N=[N+]=[N-])C)c1ccc(cc1)C(N=[N+]=[N-])C)N=[N+]=[N-]
InChI Key	RNRYSLXINHXKTK-UHFFFAOYSA-N
Molecular Formula	C30H27N9
Exact Mass	513.596 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/RNRYSLXINHXKTK-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RNRYSLXINHXKTK-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:28:53.713887
MetadataModified	2024-09-08T00:28:52.692699
MetadataPublished	2023-03-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638634	PubChem
The data in this table is sourced from UniChem at EBI.