Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C52H38N4O6/c1-3-61-51(59)37-17-13-35(14-18-37)49-43-25-21-39(53-43)47(33-9-5-31(29-57)6-10-33)41-23-27-45(55-41)50(36-15-19-38(20-16-36)52(60)62-4-2)46-28-24-42(56-46)48(40-22-26-44(49)54-40)34-11-7-32(30-58)8-12-34/h5-30,53,56H,3-4H2,1-2H3/b47-39-,47-41-,48-40-,48-42-,49-43-,49-44-,50-45-,50-46-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)C=O)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)C=O
InChI Key	DVNRJSFZLKEXCN-CGBDAEPUSA-N
Molecular Formula	C52H38N4O6
Exact Mass	814.881 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/DVNRJSFZLKEXCN-CGBDAEPUSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DVNRJSFZLKEXCN-CGBDAEPUSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:45:04.419299
MetadataModified	2024-09-07T18:44:52.845196
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables