Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C54H46N4O8/c1-7-65-53(59)33-19-15-31(16-20-33)47-35-23-27-39(55-35)49(51-43(61-3)11-9-12-44(51)62-4)41-29-25-37(57-41)48(32-17-21-34(22-18-32)54(60)66-8-2)38-26-30-42(58-38)50(40-28-24-36(47)56-40)52-45(63-5)13-10-14-46(52)64-6/h9-30,55,58H,7-8H2,1-6H3/b47-35-,47-36-,48-37-,48-38-,49-39+,49-41+,50-40+,50-42+
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)/c1c(OC)cccc1OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1c(OC)cccc1OC
InChI Key	MYNGAGFSAZSURO-TVMLIUSISA-N
Molecular Formula	C54H46N4O8
Exact Mass	878.965 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MYNGAGFSAZSURO-TVMLIUSISA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/MYNGAGFSAZSURO-TVMLIUSISA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:50:05.762806
MetadataModified	2024-09-07T18:51:14.385132
MetadataPublished	2020-08-31
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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