Dataset

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

Chemical Information

InChI	InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
InChI Key	WEAYCYAIVOIUMG-UHFFFAOYSA-N
Exact Mass	246.325 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WEAYCYAIVOIUMG-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/WEAYCYAIVOIUMG-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 : 2024-09-05 Starting time : 16:07:31 UTC Creator : José Carlos Ferreira da Cunha label : JFC-88 id : 149275 Solvent used for referencing : CDCl3 temperature : 297.9993 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect Name : TopSpin Version : 3.6.4

Data-Source Molecule ID	Data-Source
CHEMBL220009	chembl
170033	surechembl
69030	pubchem
MMK3ZM7GGJ	fdasrs
QIBQOH	CCDC
Molport-002-132-570	molport
The data in this table is sourced from UniChem at EBI.