Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C14H14O3S/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
SMILES	COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
InChI Key	RHZGFTNGGQAHIQ-UHFFFAOYSA-N
Exact Mass	262.324 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RHZGFTNGGQAHIQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/RHZGFTNGGQAHIQ-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	Title : Sep18-2024-braese Date : 20240919 Start time : 2.05 h Label : JFC-74 ID : 325665 Solvent : chloroform-D1 (CDCl3) Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect

Data-Source Molecule ID	Data-Source
825670	surechembl
11139925	pubchem
The data in this table is sourced from UniChem at EBI.