Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C60H46N2S2/c1-5-13-49(14-6-1)61(50-15-7-2-8-16-50)53-33-29-47(30-34-53)57-37-39-59(63-57)55-41-43-21-25-45(55)27-23-44-22-26-46(28-24-43)56(42-44)60-40-38-58(64-60)48-31-35-54(36-32-48)62(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-22,25-26,29-42H,23-24,27-28H2
SMILES	c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key	FMYGRWYRJAIBLR-UHFFFAOYSA-N
Molecular Formula	C60H46N2S2
Exact Mass	859.151 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FMYGRWYRJAIBLR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FMYGRWYRJAIBLR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:57:31.283679
MetadataModified	2024-09-08T01:57:31.283685
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169408867	PubChem
The data in this table is sourced from UniChem at EBI.