Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
SMILES CCOC(=O)CCC(=O)C
InChI Key GMEONFUTDYJSNV-UHFFFAOYSA-N
Molecular Formula C7H12O3
Exact Mass 144.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMEONFUTDYJSNV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GMEONFUTDYJSNV-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • ethyl 4-oxopentanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:169371 chebi
    BKQ rcsb_pdb
    CHEMBL3182933 chembl
    92709 surechembl
    10883 pubchem
    7BU24CSS2G fdasrs
    HMDB0040433 hmdb
    Molport-001-769-738 molport
    The data in this table is sourced from UniChem at EBI.