Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H
SMILES	N#Cc1ccc(cc1)c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	JUYJSFSZARWDPQ-UHFFFAOYSA-N
Molecular Formula	C64H36N8O
Exact Mass	933.024 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JUYJSFSZARWDPQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JUYJSFSZARWDPQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:05.275169
MetadataModified	2024-09-07T16:27:47.440345
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453713	PubChem
The data in this table is sourced from UniChem at EBI.