Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+
SMILES	c1ccc(nc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccccn1)cc3/C=C/c1ccccn1)/C=C/c1ccccn1
InChI Key	MRAPWJUTWDRYOQ-OKNOEDMOSA-N
Molecular Formula	C44H36N4
Exact Mass	620.783 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/MRAPWJUTWDRYOQ-OKNOEDMOSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MRAPWJUTWDRYOQ-OKNOEDMOSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:10:13.173878
MetadataModified	2024-09-08T04:10:13.173883
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables