Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C52H42N4O6/c1-5-61-51(57)33-19-15-31(16-20-33)47-37-23-27-41(53-37)49(35-11-7-9-13-45(35)59-3)43-29-25-39(55-43)48(32-17-21-34(22-18-32)52(58)62-6-2)40-26-30-44(56-40)50(42-28-24-38(47)54-42)36-12-8-10-14-46(36)60-4/h7-30,53,56H,5-6H2,1-4H3/b47-37-,47-38-,48-39-,48-40-,49-41-,49-43-,50-42-,50-44-
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)/c1ccccc1OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccccc1OC
InChI Key	HQVYBJHMICPQSJ-YHNZKVPLSA-N
Molecular Formula	C52H42N4O6
Exact Mass	818.913 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HQVYBJHMICPQSJ-YHNZKVPLSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HQVYBJHMICPQSJ-YHNZKVPLSA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:49:47.021880
MetadataModified	2024-09-07T18:50:42.568757
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.