Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C36H39N9/c1-22(2)34(40-43-37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(23(3)4)41-44-38)21-33(20-31)27-11-17-30(18-12-27)36(24(5)6)42-45-39/h7-24,34-36H,1-6H3
SMILES	CC(C(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)N=[N+]=[N-])c1ccc(cc1)C(C(C)C)N=[N+]=[N-])N=[N+]=[N-])C
InChI Key	OYOIZIPRNOIBCB-UHFFFAOYSA-N
Molecular Formula	C36H39N9
Exact Mass	597.755 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/OYOIZIPRNOIBCB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OYOIZIPRNOIBCB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:28:03.696082
MetadataModified	2024-09-08T00:28:09.772391
MetadataPublished	2023-03-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638635	PubChem
The data in this table is sourced from UniChem at EBI.