Dataset

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

Chemical Information

InChI	InChI=1S/C33H33BrS5/c34-17-7-1-2-10-23-20-32(28-14-13-26(37-28)30-18-21-8-3-5-11-24(21)35-30)39-33(23)29-16-15-27(38-29)31-19-22-9-4-6-12-25(22)36-31/h13-16,18-20H,1-12,17H2
SMILES	BrCCCCCc1cc(sc1c1ccc(s1)c1cc2c(s1)CCCC2)c1ccc(s1)c1cc2c(s1)CCCC2
InChI Key	VFLPBZPYZNEZDZ-UHFFFAOYSA-N
Exact Mass	669.844 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/VFLPBZPYZNEZDZ-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/VFLPBZPYZNEZDZ-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 : 21:12:16 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25309 id : 355659 Solvent : CDCl3 temperature : 297.99150350095 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693359	pubchem
The data in this table is sourced from UniChem at EBI.