Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C38H30N4O4/c1-3-45-37(43)25-9-5-23(6-10-25)35-31-17-13-27(39-31)21-29-15-19-33(41-29)36(24-7-11-26(12-8-24)38(44)46-4-2)34-20-16-30(42-34)22-28-14-18-32(35)40-28/h5-22,39,42H,3-4H2,1-2H3/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-
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=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2
InChI Key	QKHPYPUCYCZMQU-WTFXTOSCSA-N
Molecular Formula	C38H30N4O4
Exact Mass	606.669 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QKHPYPUCYCZMQU-WTFXTOSCSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QKHPYPUCYCZMQU-WTFXTOSCSA-N/CHMO0000470.1
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:08:45.633249
MetadataModified	2024-09-07T16:36:49.792274
MetadataPublished	2020-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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