Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C56H36N6O4/c1-3-65-55(63)41-19-15-39(16-20-41)53-49-29-25-45(59-49)43(23-13-35-5-9-37(33-57)10-6-35)47-27-31-51(61-47)54(40-17-21-42(22-18-40)56(64)66-4-2)52-32-28-48(62-52)44(46-26-30-50(53)60-46)24-14-36-7-11-38(34-58)12-8-36/h5-12,15-22,25-32,59,62H,3-4H2,1-2H3/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#N)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C#N
InChI Key	QFYSFCFTSCMLOG-SZXTZKNNSA-N
Molecular Formula	C56H36N6O4
Exact Mass	856.923 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/QFYSFCFTSCMLOG-SZXTZKNNSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QFYSFCFTSCMLOG-SZXTZKNNSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:47:27.932386
MetadataModified	2024-09-07T18:48:03.399361
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.