Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C66H50N4O4/c1-3-73-65(71)51-29-25-49(26-30-51)63-59-39-35-55(67-59)53(33-19-43-15-21-47(22-16-43)45-11-7-5-8-12-45)57-37-41-61(69-57)64(50-27-31-52(32-28-50)66(72)74-4-2)62-42-38-58(70-62)54(56-36-40-60(63)68-56)34-20-44-17-23-48(24-18-44)46-13-9-6-10-14-46/h5-42,67,70H,3-4H2,1-2H3/b33-19+,34-20+,55-53-,56-54-,57-53-,58-54-,63-59-,63-60-,64-61-,64-62-
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/c1ccc(cc1)c1ccccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C=C/c1ccc(cc1)c1ccccc1
InChI Key	FVGOKCWNDNLDFP-FQVDSHNBSA-N
Molecular Formula	C66H50N4O4
Exact Mass	963.128 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FVGOKCWNDNLDFP-FQVDSHNBSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/FVGOKCWNDNLDFP-FQVDSHNBSA-N/CHMO0000630
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:47:11.580775
MetadataModified	2024-09-07T18:47:38.125676
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.