Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C54H48N6O4/c1-7-63-53(61)37-13-9-33(10-14-37)49-41-25-29-45(55-41)51(35-17-21-39(22-18-35)59(3)4)47-31-27-43(57-47)50(34-11-15-38(16-12-34)54(62)64-8-2)44-28-32-48(58-44)52(46-30-26-42(49)56-46)36-19-23-40(24-20-36)60(5)6/h9-32,55,58H,7-8H2,1-6H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-
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)N(C)C)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)N(C)C
InChI Key	NMWAAPDYNRKNCN-IIBWNCHYSA-N
Molecular Formula	C54H48N6O4
Exact Mass	844.997 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/NMWAAPDYNRKNCN-IIBWNCHYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NMWAAPDYNRKNCN-IIBWNCHYSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:50:18.154094
MetadataModified	2024-09-07T18:51:35.532565
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.