Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3
SMILES	COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)OC)OC
InChI Key	ZTMWUEFPXMDDBX-UHFFFAOYSA-N
Molecular Formula	C64H50N2O4S2
Exact Mass	975.223 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/ZTMWUEFPXMDDBX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZTMWUEFPXMDDBX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:53:27.751462
MetadataModified	2024-09-08T01:53:27.751466
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169408871	PubChem
The data in this table is sourced from UniChem at EBI.