Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C74H52N6O4/c1-3-83-73(81)49-25-21-45(22-26-49)69-57-37-41-61(75-57)71(47-29-33-51(34-30-47)79-65-17-9-5-13-53(65)54-14-6-10-18-66(54)79)63-43-39-59(77-63)70(46-23-27-50(28-24-46)74(82)84-4-2)60-40-44-64(78-60)72(62-42-38-58(69)76-62)48-31-35-52(36-32-48)80-67-19-11-7-15-55(67)56-16-8-12-20-68(56)80/h5-44,75,78H,3-4H2,1-2H3/b69-57-,69-58-,70-59-,70-60-,71-61-,71-63-,72-62-,72-64-
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)/c1ccc(cc1)n1c4ccccc4c4c1cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key	WDLIHINPCOOLNN-HPQLBDKKSA-N
Molecular Formula	C74H52N6O4
Exact Mass	1089.242 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/WDLIHINPCOOLNN-HPQLBDKKSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WDLIHINPCOOLNN-HPQLBDKKSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:45:24.325940
MetadataModified	2024-09-07T18:45:14.588999
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables