Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C52H42N4O6/c1-5-61-51(57)35-11-7-31(8-12-35)47-39-23-27-43(53-39)49(33-15-19-37(59-3)20-16-33)45-29-25-41(55-45)48(32-9-13-36(14-10-32)52(58)62-6-2)42-26-30-46(56-42)50(44-28-24-40(47)54-44)34-17-21-38(60-4)22-18-34/h7-30,53,56H,5-6H2,1-4H3/b47-39-,47-40-,48-41-,48-42-,49-43-,49-45-,50-44-,50-46-
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)/c1ccc(cc1)OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)OC
InChI Key	CRHQCXFMPCYLGU-RGNLWQAKSA-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/CRHQCXFMPCYLGU-RGNLWQAKSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CRHQCXFMPCYLGU-RGNLWQAKSA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:49:13.948308
MetadataModified	2024-09-07T18:50:15.130722
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.