Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MYAOBOWAXXUSQQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MYAOBOWAXXUSQQ-UHFFFAOYSA-N/CHMO0000595
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-09-19 Start time : 17:36:14 UTC Creator : José da Cunha Label : JFC-187 ID : 336848 Solvent : CDCl3 Temperature : 298.1509 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Name : Parameter file, TOPSPIN Version 3.2

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