Dataset

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

Chemical Information

InChI	InChI=1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m0....../s1
SMILES	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2.OS(=O)(=O)O.O.O.O.O.O
InChI Key	WNSDDGBLIALDPB-LIELMIIZSA-N
Exact Mass	422.535 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/WNSDDGBLIALDPB-LIELMIIZSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/WNSDDGBLIALDPB-LIELMIIZSA-N/CHMO0001150
Version
Author	Jean-Marie Lehn
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-18T07:21:44Z
Related Molecule

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

Data-Source Molecule ID	Data-Source
CHEMBL1908348	chembl
6081843	surechembl
20055553	pubchem
CHEBI:750260	chebi
GQ3J2TLZ7E	fdasrs
PD038093	probes_and_drugs
The data in this table is sourced from UniChem at EBI.