Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H36N4/c1(33-13-21-45-22-14-33)5-37-29-42-11-12-44-32-39(7-3-35-17-25-47-26-18-35)43(31-40(44)8-4-36-19-27-48-28-20-36)10-9-41(37)30-38(42)6-2-34-15-23-46-24-16-34/h1-8,13-32H,9-12H2/b5-1+,6-2+,7-3+,8-4+
SMILES	n1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccncc1)cc3/C=C/c1ccncc1)/C=C/c1ccncc1
InChI Key	SYMSPZWKXLLTQK-VYUKIJHXSA-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/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0000470.1
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:09:07.756749
MetadataModified	2024-09-08T04:09:07.756754
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.