Dataset

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

Chemical Information

InChI	InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
SMILES	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
InChI Key	GPAPPPVRLPGFEQ-UHFFFAOYSA-N
Exact Mass	287.162 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GPAPPPVRLPGFEQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/GPAPPPVRLPGFEQ-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 : Nov22-2024 date : 20241123 starting time : 3.33 h label : JFC-197 id : 337062 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
CHEMBL1334784	chembl
2122579	surechembl
22742	surechembl
6625	pubchem
5U49794253	fdasrs
CLPSUL	CCDC
HMDB0246600	hmdb
DTXSID9024986	comptox
Molport-000-513-688	molport
The data in this table is sourced from UniChem at EBI.