Dataset

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

Chemical Information

InChI	InChI=1S/C13H11FO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)F
InChI Key	PSDMTXMSQAGPPB-UHFFFAOYSA-N
Exact Mass	250.289 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PSDMTXMSQAGPPB-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PSDMTXMSQAGPPB-UHFFFAOYSA-N/CHMO0001146
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	Date : 2024-12-11 Starting time : 12:01:08 UTC Creator : José Carlos Ferreira da Cunha label : JFC-118 id : 149522 Solvent used for referencing : CDCl3 temperature : 297.9994 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect Name : TopSpin Version : 3.7.0

Data-Source Molecule ID	Data-Source
4792586	surechembl
74237	pubchem
6SZ48W3VEH	fdasrs
The data in this table is sourced from UniChem at EBI.