Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C4H10O3S2.Na/c1-8-3-2-4-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
SMILES CSCCCS(=O)(=O)[O-].[Na+]
InChI Key DTKUJIPUIHQOJN-UHFFFAOYSA-M
Exact Mass 192.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DTKUJIPUIHQOJN-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DTKUJIPUIHQOJN-UHFFFAOYSA-M/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-17

Start time : 08:31:44 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-27010

ID : 355537

Solvent : MeOD

Temperature : 298.00144437274 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
3580301 surechembl
57579314 pubchem
The data in this table is sourced from UniChem at EBI.