Dataset

nuclear magnetic resonance spectroscopy (NMR)

Chemical Info

InChI	InChI=1S/C54H40F2N4O4/c1-3-63-53(61)37-17-13-35(14-18-37)51-47-27-23-43(57-47)41(21-11-33-7-5-9-39(55)31-33)45-25-29-49(59-45)52(36-15-19-38(20-16-36)54(62)64-4-2)50-30-26-46(60-50)42(44-24-28-48(51)58-44)22-12-34-8-6-10-40(56)32-34/h5-32,57,60H,3-4H2,1-2H3/b21-11+,22-12+,43-41-,44-42-,45-41-,46-42-,51-47-,51-48-,52-49-,52-50-
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=C/c1cccc(c1)F)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C=C/c1cccc(c1)F
InChI Key	DUEXJIZWUJECGU-LYAGHACYSA-N
Molecular Formula	C54H40F2N4O4
Exact Mass	846.917 g/mol

Data and Resources

• nuclear magnetic resonance spectroscopy (NMR)HTML
  Explore

  • More information
  • Go to resource

• nuclear-magnetic-re...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DUEXJIZWUJECGU-LYAGHACYSA-N/CHMO0000591
License URL
Source	https://www.chemotion-repository.net/inchikey/DUEXJIZWUJECGU-LYAGHACYSA-N/CHMO0000591
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:47:05.242910
MetadataModified	2024-09-07T18:47:30.189498
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	nuclear magnetic resonance spectroscopy
Measurement Variables

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