Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C66H46N4O4/c1-3-73-65(71)41-25-21-39(22-26-41)61-53-29-33-57(67-53)63(51-37-43-13-5-7-15-45(43)47-17-9-11-19-49(47)51)59-35-31-55(69-59)62(40-23-27-42(28-24-40)66(72)74-4-2)56-32-36-60(70-56)64(58-34-30-54(61)68-58)52-38-44-14-6-8-16-46(44)48-18-10-12-20-50(48)52/h5-38,67,70H,3-4H2,1-2H3/b61-53-,61-54-,62-55-,62-56-,63-57-,63-59-,64-58-,64-60-
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)/c1cc4ccccc4c4c1cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cc2ccccc2c2c1cccc2
InChI Key	LLIFZWKYANUXDS-AJIYHSCXSA-N
Molecular Formula	C66H46N4O4
Exact Mass	959.096 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLIFZWKYANUXDS-AJIYHSCXSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LLIFZWKYANUXDS-AJIYHSCXSA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:46:05.968798
MetadataModified	2024-09-07T18:46:14.943554
MetadataPublished	2020-08-31

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

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