Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
SMILES C=CS(=O)(=O)c1ccc(cc1)Cl
InChI Key IBJGVAOFRSKZPY-UHFFFAOYSA-N
Exact Mass 202.658 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBJGVAOFRSKZPY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IBJGVAOFRSKZPY-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 : 2025-05-21

Start time : 23:57:20 UTC

Creator : José da Cunha

Label : JFC-307

ID : 361124

Solvent : CDCl3

Temperature : 298.1505 K K

Puls programme : zgpg30

Number of scans : 3000

Instrument : spect

Name : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID Data-Source
4300190 surechembl
21703 pubchem
6WD7N7C3D8 fdasrs
Molport-014-336-086 molport
The data in this table is sourced from UniChem at EBI.