Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H8O2S.Li/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.[Li+]
InChI Key QTLFBDINSWAZHO-UHFFFAOYSA-M
Molecular Formula C5H7LiO2S
Exact Mass 138.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QTLFBDINSWAZHO-UHFFFAOYSA-M/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QTLFBDINSWAZHO-UHFFFAOYSA-M/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • lithium;bicyclo[1.1.1]pentane-1-sulfinate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499170 PubChem
    The data in this table is sourced from UniChem at EBI.