Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C20H14BF2S2.K/c22-17-9-3-1-7-15(17)21(19-11-5-13-24-19,20-12-6-14-25-20)16-8-2-4-10-18(16)23;/h1-14H;/q-1;+1
SMILES	Fc1ccccc1[B-](c1ccccc1F)(c1cccs1)c1cccs1.[K+]
InChI Key	CQSNGNNYLIBUBZ-UHFFFAOYSA-N
Exact Mass	406.361 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CQSNGNNYLIBUBZ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/CQSNGNNYLIBUBZ-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	date : 2025-11-16 starting time : 10:12:20 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25512 id : 356083 Solvent : DMSO temperature : 298.06534142214 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.