Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C61H41N7O/c1-61(2,3)60-64-63-59(69-60)54-55(65-46-28-12-4-20-37(46)38-21-5-13-29-47(38)65)45(36-62)56(66-48-30-14-6-22-39(48)40-23-7-15-31-49(40)66)58(68-52-34-18-10-26-43(52)44-27-11-19-35-53(44)68)57(54)67-50-32-16-8-24-41(50)42-25-9-17-33-51(42)67/h4-35H,1-3H3
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C)(C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	RBZIABUVENDLTG-UHFFFAOYSA-N
Molecular Formula	C61H41N7O
Exact Mass	888.025 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RBZIABUVENDLTG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RBZIABUVENDLTG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:59:23.534821
MetadataModified	2024-09-07T16:23:58.391467
MetadataPublished	2020-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915829	PubChem
The data in this table is sourced from UniChem at EBI.