Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DTKUJIPUIHQOJN-UHFFFAOYSA-M/CHMO0001146
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-11-17

starting time : 09:25:39 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-27010

id : 355537

Solvent : MeOD

temperature : 298.057975595452 K

PULPROG : hsqcedetgp

number of scans : 2 scans

instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
57579314 PubChem
SCHEMBL3580301 SureChEMBL
The data in this table is sourced from UniChem at EBI.