Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/2CHF3O3S.Fe/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
SMILES	FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Fe+2]
InChI Key	PGJLOGNVZGRMGX-UHFFFAOYSA-L
Exact Mass	353.983 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PGJLOGNVZGRMGX-UHFFFAOYSA-L/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/PGJLOGNVZGRMGX-UHFFFAOYSA-L/CHMO0000595
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-07-31 Start time : 00:28:37 UTC Creator : Fabian Schönle Label : CCP-3728 ID : 379251 Solvent : CDCl3 Temperature : 298.003001376756 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin Date : 2025-07-30 Start time : 18:31:21 UTC Creator : Fabian Schönle Label : CCP-3728 ID : 379251 Solvent : DMSO Temperature : 298.001534199895 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
56373330	PubChem: Thomson Pharma
SCHEMBL875149	SureChEMBL
J2.799.904B	Nikkaji
CB2195434	ChemicalBook
30424577	eMolecules
15814676	PubChem
The data in this table is sourced from UniChem at EBI.