Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/2C13H26N4.2CHF3O3S.Zn/c2*1-15(2)12-8-6-5-7-11(12)14-13-16(3)9-10-17(13)4;2*2-1(3,4)8(5,6)7;/h2*11-12H,5-10H2,1-4H3;2*(H,5,6,7);/q;;;;+2/p-2/t2*11-,12-;;;/m11.../s1
SMILES	FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN([C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.CN([C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.[Zn+2]
InChI Key	ONONMGHJARZAAV-QULUYMGFSA-L
Exact Mass	840.263 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ONONMGHJARZAAV-QULUYMGFSA-L/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ONONMGHJARZAAV-QULUYMGFSA-L/CHMO0000595
Version
Author	Frederico Boekhoff
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-02
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
177747840	pubchem
The data in this table is sourced from UniChem at EBI.