Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
SMILES OC(=O)c1cscc1
InChI Key YNVOMSDITJMNET-UHFFFAOYSA-N
Molecular Formula C5H4O2S
Exact Mass 128.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YNVOMSDITJMNET-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/YNVOMSDITJMNET-UHFFFAOYSA-N/CHMO0001148
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
TX0 rcsb_pdb
CHEMBL164585 chembl
152166 surechembl
6918 pubchem
6V3012Q6BE fdasrs
PD218448 probes_and_drugs
THIPAC CCDC
249726 brenda
259278 brenda
97229 brenda
Molport-000-142-469 molport
50074328 bindingdb
The data in this table is sourced from UniChem at EBI.