Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H12O2S2/c1-11-6-8-12(9-7-11)19(16,17)15-10-18-14-5-3-2-4-13(14)15/h2-10H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)c1csc2c1cccc2
InChI Key NQSZKBOEVNGOTN-UHFFFAOYSA-N
Exact Mass 288.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQSZKBOEVNGOTN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NQSZKBOEVNGOTN-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 : Sep19-2024-braese

Date : 20240920

Start time : 2.01 h

Label : JFC-79

ID : 326222

Solvent : chloroform-D1 (CDCl3)

Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : spect

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.