Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+
SMILES	c1ccc(cn1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cccnc1)cc3/C=C/c1cccnc1)/C=C/c1cccnc1
InChI Key	KEZSCKXKKQRCAG-KUWVSJDVSA-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
• Molecule Data-Sources

Field	Value
DOI	10.14272/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0000470.1
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:10:01.049945
MetadataModified	2024-09-08T04:10:01.049950
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.