Dataset

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

Chemical Information

InChI	InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1ccccc1
InChI Key	YBRXHRWLEFCFEG-UHFFFAOYSA-N
Exact Mass	232.298 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YBRXHRWLEFCFEG-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/YBRXHRWLEFCFEG-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	title : Sep05-2024-braese date : 20240905 starting time : 16.30 h label : JFC-24 id : 317187 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect

Data-Source Molecule ID	Data-Source
CHEMBL453261	chembl
891138	surechembl
69497	pubchem
HEMRAW	CCDC
76340	brenda
Molport-001-834-000	molport
The data in this table is sourced from UniChem at EBI.