Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C52H36N6O4/c1-3-61-51(59)35-15-11-33(12-16-35)49-45-27-23-41(55-45)39(21-19-37-9-5-7-31-53-37)43-25-29-47(57-43)50(34-13-17-36(18-14-34)52(60)62-4-2)48-30-26-44(58-48)40(42-24-28-46(49)56-42)22-20-38-10-6-8-32-54-38/h5-18,23-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-
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)/C#Cc1ccccn1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccccn1
InChI Key	QEQHSJUIDFMSHK-LVYLMHPTSA-N
Molecular Formula	C52H36N6O4
Exact Mass	808.880 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QEQHSJUIDFMSHK-LVYLMHPTSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/QEQHSJUIDFMSHK-LVYLMHPTSA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:47:49.811525
MetadataModified	2024-09-07T18:48:27.904929
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.