Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C66H43N7O/c1-39-36-40(2)59(41(3)37-39)65-68-69-66(74-65)60-61(70-51-28-12-4-20-42(51)43-21-5-13-29-52(43)70)50(38-67)62(71-53-30-14-6-22-44(53)45-23-7-15-31-54(45)71)64(73-57-34-18-10-26-48(57)49-27-11-19-35-58(49)73)63(60)72-55-32-16-8-24-46(55)47-25-9-17-33-56(47)72/h4-37H,1-3H3
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2c(C)cc(cc2C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	DYLFJJYYNYGIDI-UHFFFAOYSA-N
Molecular Formula	C66H43N7O
Exact Mass	950.094 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/DYLFJJYYNYGIDI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DYLFJJYYNYGIDI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:57:42.075056
MetadataModified	2024-09-07T16:21:27.901374
MetadataPublished	2020-01-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453627	PubChem
The data in this table is sourced from UniChem at EBI.