Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C46H34N8O4/c1-3-57-45(55)29-9-5-27(6-10-29)41-33-13-17-37(51-33)43(31-21-47-25-48-22-31)39-19-15-35(53-39)42(28-7-11-30(12-8-28)46(56)58-4-2)36-16-20-40(54-36)44(32-23-49-26-50-24-32)38-18-14-34(41)52-38/h5-26,51,54H,3-4H2,1-2H3/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-
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)/c1cncnc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cncnc1
InChI Key	DJCDFXZBRUEGEI-VRDUDMDPSA-N
Molecular Formula	C46H34N8O4
Exact Mass	762.813 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/DJCDFXZBRUEGEI-VRDUDMDPSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DJCDFXZBRUEGEI-VRDUDMDPSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:51:16.186817
MetadataModified	2024-09-07T18:52:46.907487
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.