Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
SMILES SCC(C(CS)O)O
InChI Key VHJLVAABSRFDPM-UHFFFAOYSA-N
Molecular Formula C4H10O2S2
Exact Mass 154.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VHJLVAABSRFDPM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VHJLVAABSRFDPM-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • 1,4-bis(sulfanyl)butane-2,3-diol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : SVS-CC06013

    date : 20240301

    starting time : 17.01 h

    label : SVS-2872

    id : 298065

    Solvent : D2O

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:18320 chebi
    CHEBI:25189 chebi
    CHEMBL47903 chembl
    87345 surechembl
    19001 pubchem
    PD040449 probes_and_drugs
    256603 brenda
    51629 brenda
    6514 brenda
    90419 brenda
    HMDB0251493 hmdb
    Molport-003-665-010 molport
    The data in this table is sourced from UniChem at EBI.