Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C21H16O2S/c1-15-10-12-17(13-11-15)24(22,23)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)c1cc2ccccc2c2c1cccc2
InChI Key	MIJBJLNGPGSHDY-UHFFFAOYSA-N
Exact Mass	332.416 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MIJBJLNGPGSHDY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MIJBJLNGPGSHDY-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 : 2024-09-06 Start time : 09:38:17 UTC Creator : José Carlos Ferreira da Cunha Label : JFC-82 ID : 149266 Solvent : CDCl3 Temperature : 298.0002 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Name : TopSpin Version : 3.6.4

Data-Source Molecule ID	Data-Source
4695577	pubchem
LODGOC	CCDC
The data in this table is sourced from UniChem at EBI.