Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C48H36N6O4/c1-3-57-47(55)33-9-5-29(6-10-33)43-35-13-17-39(51-35)45(31-21-25-49-26-22-31)41-19-15-37(53-41)44(30-7-11-34(12-8-30)48(56)58-4-2)38-16-20-42(54-38)46(32-23-27-50-28-24-32)40-18-14-36(43)52-40/h5-28,51,54H,3-4H2,1-2H3/b43-35-,43-36-,44-37-,44-38-,45-39-,45-41-,46-40-,46-42-
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)/c1ccncc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccncc1
InChI Key	KEFPVMXSHBFAEK-ZTRVSJDYSA-N
Molecular Formula	C48H36N6O4
Exact Mass	760.837 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/KEFPVMXSHBFAEK-ZTRVSJDYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KEFPVMXSHBFAEK-ZTRVSJDYSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:50:50.897399
MetadataModified	2024-09-07T18:52:15.465872
MetadataPublished	2020-08-31
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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