Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C56H42N4O6/c1-5-65-55(61)39-19-15-37(16-20-39)53-47-31-27-43(57-47)41(25-23-35-11-7-9-13-51(35)63-3)45-29-33-49(59-45)54(38-17-21-40(22-18-38)56(62)66-6-2)50-34-30-46(60-50)42(44-28-32-48(53)58-44)26-24-36-12-8-10-14-52(36)64-4/h7-22,27-34,57,60H,5-6H2,1-4H3/b43-41-,44-42-,45-41-,46-42-,53-47-,53-48-,54-49-,54-50-
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#Cc1ccccc1OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccccc1OC
InChI Key	NJJJGXDUDISIKH-RQECDEDSSA-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/NJJJGXDUDISIKH-RQECDEDSSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/NJJJGXDUDISIKH-RQECDEDSSA-N/CHMO0000595
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:45:49.817096
MetadataModified	2024-09-07T18:45:49.170014
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.