Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C58H42N4O6/c1-5-67-57(65)43-21-17-41(18-22-43)55-51-31-27-47(59-51)45(25-11-37-7-13-39(14-8-37)35(3)63)49-29-33-53(61-49)56(42-19-23-44(24-20-42)58(66)68-6-2)54-34-30-50(62-54)46(48-28-32-52(55)60-48)26-12-38-9-15-40(16-10-38)36(4)64/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b47-45-,48-46-,49-45-,50-46-,55-51-,55-52-,56-53-,56-54-
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#Cc1ccc(cc1)C(=O)C)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C(=O)C
InChI Key	CMTSBEAOTMVZIO-KZHXVFCISA-N
Molecular Formula	C58H42N4O6
Exact Mass	890.977 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CMTSBEAOTMVZIO-KZHXVFCISA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/CMTSBEAOTMVZIO-KZHXVFCISA-N/CHMO0000630
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:47:40.450631
MetadataModified	2024-09-07T18:48:16.504613
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

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