Dataset

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

Chemical Information

InChI	InChI=1S/C30H18N2S5/c1-4-25(34-22(1)19-9-14-31-15-10-19)27-6-3-24(36-27)21-13-18-33-30(21)29-8-7-28(37-29)26-5-2-23(35-26)20-11-16-32-17-12-20/h1-18H
SMILES	n1ccc(cc1)c1ccc(s1)c1ccc(s1)c1sccc1c1ccc(s1)c1ccc(s1)c1ccncc1
InChI Key	SNCMXNFCUYLAOM-UHFFFAOYSA-N
Exact Mass	566.802 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SNCMXNFCUYLAOM-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/SNCMXNFCUYLAOM-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-08-15 starting time : 09:10:54 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26085 id : 355384 Solvent : CDCl3 temperature : 297.987850529991 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693376	pubchem
The data in this table is sourced from UniChem at EBI.