Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-
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)/C#Cc1ccc(cc1)C(=O)OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C(=O)OC
InChI Key	ACAWWMOQOYSROM-SZXTZKNNSA-N
Molecular Formula	C58H42N4O8
Exact Mass	922.976 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/ACAWWMOQOYSROM-SZXTZKNNSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ACAWWMOQOYSROM-SZXTZKNNSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:48:32.679979
MetadataModified	2024-09-07T18:49:23.676818
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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