Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3
SMILES	COC(=O)CCc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	FRTVLEZTKRSWBW-UHFFFAOYSA-N
Molecular Formula	C61H39N7O3
Exact Mass	918.007 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/FRTVLEZTKRSWBW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FRTVLEZTKRSWBW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:20.542198
MetadataModified	2024-09-07T16:28:12.351700
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453710	PubChem
The data in this table is sourced from UniChem at EBI.