Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
SMILES COC(=O)C(=C)CO
InChI Key RFUCOAQWQVDBEU-UHFFFAOYSA-N
Molecular Formula C5H8O3
Exact Mass 116.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RFUCOAQWQVDBEU-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source https://www.chemotion-repository.net/inchikey/RFUCOAQWQVDBEU-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-04-05
Related Molecule
  • methyl 2-(hydroxymethyl)prop-2-enoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23W rcsb_pdb
    CHEMBL1256639 chembl
    36299 surechembl
    11815329 pubchem
    Molport-009-197-900 molport
    The data in this table is sourced from UniChem at EBI.