Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C74H56N6O4/c1-3-83-73(81)53-29-25-49(26-30-53)69-61-41-45-65(75-61)71(51-33-37-59(38-34-51)79(55-17-9-5-10-18-55)56-19-11-6-12-20-56)67-47-43-63(77-67)70(50-27-31-54(32-28-50)74(82)84-4-2)64-44-48-68(78-64)72(66-46-42-62(69)76-66)52-35-39-60(40-36-52)80(57-21-13-7-14-22-57)58-23-15-8-16-24-58/h5-48,75,78H,3-4H2,1-2H3/b69-61-,69-62-,70-63-,70-64-,71-65-,71-67-,72-66-,72-68-
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)N(c1ccccc1)c1ccccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key	YULOXMPEGRBBMW-IKRWVGBNSA-N
Molecular Formula	C74H56N6O4
Exact Mass	1093.274 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/YULOXMPEGRBBMW-IKRWVGBNSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YULOXMPEGRBBMW-IKRWVGBNSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:50:35.550707
MetadataModified	2024-09-07T18:52:01.923218
MetadataPublished	2020-08-31
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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