Dataset

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

Chemical Information

InChI	InChI=1S/C14H12O4S/c1-10-2-4-11(5-3-10)19(15,16)12-6-7-13-14(8-12)18-9-17-13/h2-8H,9H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1ccc2c(c1)OCO2
InChI Key	MYAOBOWAXXUSQQ-UHFFFAOYSA-N
Exact Mass	276.308 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MYAOBOWAXXUSQQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/MYAOBOWAXXUSQQ-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 : Dec04-2024-braese date : 20241204 starting time : 16.14 h label : JFC-187 id : 336848 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : spect

Data-Source Molecule ID	Data-Source
14193101	surechembl
71095836	pubchem
The data in this table is sourced from UniChem at EBI.