Dataset

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

Chemical Information

InChI	InChI=1S/C11H14O4S/c1-9-2-4-10(5-3-9)16(12,13)8-11-14-6-7-15-11/h2-5,11H,6-8H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)CC1OCCO1
InChI Key	HUZDOKPIYCGBIA-UHFFFAOYSA-N
Exact Mass	242.291 g/mol

Data and Resources

• 1H--13C heteronuclear single quantum coherence...HTML
  Go to source

• 1h13c-heteronuclear...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HUZDOKPIYCGBIA-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/HUZDOKPIYCGBIA-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 : Nov15-2024 date : 20241117 starting time : 21.12 h label : JFC-130 id : 332717 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
13063172	pubchem
The data in this table is sourced from UniChem at EBI.