Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C45H34N4O5/c1-3-53-44(51)29-13-9-27(10-14-29)41-35-19-17-32(46-35)25-33-18-20-36(47-33)42(28-11-15-30(16-12-28)45(52)54-4-2)38-22-24-40(49-38)43(39-23-21-37(41)48-39)34-8-6-5-7-31(34)26-50/h5-26,46,49H,3-4H2,1-2H3/b32-25-,33-25-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-
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)/c1ccccc1C=O)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2
InChI Key	GJXVXQKLCLKLLN-NVZKTODFSA-N
Molecular Formula	C45H34N4O5
Exact Mass	710.775 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GJXVXQKLCLKLLN-NVZKTODFSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GJXVXQKLCLKLLN-NVZKTODFSA-N/CHMO0000593
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:00:19.983252
MetadataModified	2024-09-07T17:44:50.685116
MetadataPublished	2020-04-17
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.