Dataset

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

Chemical Information

InChI	InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3
SMILES	CCOC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
InChI Key	CETOMTMUYQNKJT-UHFFFAOYSA-N
Exact Mass	304.361 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CETOMTMUYQNKJT-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/CETOMTMUYQNKJT-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 : Sep30-2024-braese date : 20240930 starting time : 10.53 h label : JFC-91 id : 327183 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect

Data-Source Molecule ID	Data-Source
11324164	pubchem
The data in this table is sourced from UniChem at EBI.