Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
SMILES CC(=O)CC(=O)OC(C)(C)C
InChI Key JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula C8H14O3
Exact Mass 158.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKUYRAMKJLMYLO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JKUYRAMKJLMYLO-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • tert-butyl 3-oxobutanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3187029 chembl
    82881 surechembl
    15538 pubchem
    1D3DOS61GX fdasrs
    133811 brenda
    133812 brenda
    194812 brenda
    Molport-001-789-983 molport
    The data in this table is sourced from UniChem at EBI.