Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C25H29.6ClH.Sb/c1-3-5-22-23(6-4-2)25(22)24-17-20-12-11-18-7-9-19(10-8-18)13-15-21(24)16-14-20;;;;;;;/h7-10,14,16-17H,3-6,11-13,15H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
SMILES Cl[Sb](Cl)(Cl)(Cl)Cl.CCCC1=C([C+]1c1cc2ccc1CCc1ccc(CC2)cc1)CCC.[Cl-]
InChI Key ZSEJEZICWYCUBO-UHFFFAOYSA-H
Exact Mass 663.976 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZSEJEZICWYCUBO-UHFFFAOYSA-H/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/ZSEJEZICWYCUBO-UHFFFAOYSA-H/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
title : Feb03-2025

date : 20250203

starting time : 9.59 h

label : KT-1345

id : 341981

Solvent : CD2Cl2

temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

instrument : Avance NEO

Data-Source Molecule ID Data-Source
177864200 pubchem
The data in this table is sourced from UniChem at EBI.