Dataset

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

Chemical Information

InChI	InChI=1S/C21H16O2S/c1-15-10-12-17(13-11-15)24(22,23)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1cc2ccccc2c2c1cccc2
InChI Key	MIJBJLNGPGSHDY-UHFFFAOYSA-N
Exact Mass	332.416 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MIJBJLNGPGSHDY-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/MIJBJLNGPGSHDY-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 : 2024-09-06 Starting time : 10:09:56 UTC Creator : José Carlos Ferreira da Cunha label : JFC-82 id : 149266 Solvent used for referencing : CDCl3 temperature : 297.9995 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect Name : TopSpin Version : 3.6.4

Data-Source Molecule ID	Data-Source
4695577	pubchem
LODGOC	CCDC
The data in this table is sourced from UniChem at EBI.