Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccc(cc2)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	VMBNKDPNTRHCJF-UHFFFAOYSA-N
Molecular Formula	C64H39N7O
Exact Mass	922.041 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/VMBNKDPNTRHCJF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VMBNKDPNTRHCJF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:01:30.001183
MetadataModified	2024-09-07T16:26:55.909367
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453628	PubChem
The data in this table is sourced from UniChem at EBI.