Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H8O2S.Na/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1
SMILES [O-]S(=O)C12CC(C1)C2.[Na+]
InChI Key KHFMOUFAUHOHJO-UHFFFAOYSA-M
Molecular Formula C5H7NaO2S
Exact Mass 154.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHFMOUFAUHOHJO-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KHFMOUFAUHOHJO-UHFFFAOYSA-M/CHMO0000595
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • sodium;bicyclo[1.1.1]pentane-1-sulfinate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926360 PubChem
    The data in this table is sourced from UniChem at EBI.