Dataset

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

Chemical Information

InChI	InChI=1S/C41H23NS9/c1-5-28(43-17-1)25-22-37(50-39(25)33-7-3-19-45-33)31-10-9-30(47-31)27-21-36(24-13-15-42-16-14-24)49-41(27)35-12-11-32(48-35)38-23-26(29-6-2-18-44-29)40(51-38)34-8-4-20-46-34/h1-23H
SMILES	n1ccc(cc1)c1sc(c(c1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1
InChI Key	JQCVTUWKDVZZPR-UHFFFAOYSA-N
Exact Mass	818.213 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/JQCVTUWKDVZZPR-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/JQCVTUWKDVZZPR-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	title : SVS-X27288 date : 20250214 starting time : 23.30 h label : SVS-3035 id : 343025 Solvent : THF temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans instrument : spect

Data-Source Molecule ID	Data-Source
J2.743.037F	Nikkaji
101479963	PubChem
The data in this table is sourced from UniChem at EBI.