Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H
SMILES	c1csc(c1)C#Cc1ccc(s1)c1ccc(s1)c1c(c2ccc(s2)c2ccc(s2)C#Cc2cccs2)c(c2ccc(s2)c2ccc(s2)C#Cc2cccs2)c(c(c1c1ccc(s1)c1ccc(s1)C#Cc1cccs1)c1ccc(s1)c1ccc(s1)C#Cc1cccs1)c1ccc(s1)c1ccc(s1)C#Cc1cccs1
InChI Key	WEJFSWQITPJMGL-UHFFFAOYSA-N
Exact Mass	1700.466 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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• 1h1h-correlation-sp...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WEJFSWQITPJMGL-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/WEJFSWQITPJMGL-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.