Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C56H42N4O6/c1-5-65-55(61)39-17-13-37(14-18-39)53-49-31-27-45(57-49)43(25-11-35-7-21-41(63-3)22-8-35)47-29-33-51(59-47)54(38-15-19-40(20-16-38)56(62)66-6-2)52-34-30-48(60-52)44(46-28-32-50(53)58-46)26-12-36-9-23-42(64-4)24-10-36/h7-10,13-24,27-34,57,60H,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)OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)OC
InChI Key	MHZFRQAXCYGEIR-SZXTZKNNSA-N
Molecular Formula	C56H42N4O6
Exact Mass	866.956 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MHZFRQAXCYGEIR-SZXTZKNNSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MHZFRQAXCYGEIR-SZXTZKNNSA-N/CHMO0000595
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:45:36.749017
MetadataModified	2024-09-07T18:45:37.493859
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

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