Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
SMILES ClCC(=O)CCl
InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O
Exact Mass 126.969 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-09
Related Molecule
  • 1,3-dichloropropan-2-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : CCP-3705

    date : 20240219

    starting time : 16.00 h

    label : CCP-3535

    id : 293506

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:156485 chebi
    CHM rcsb_pdb
    CHEMBL1231783 chembl
    30570 surechembl
    10793 pubchem
    UFH8559WS5 fdasrs
    PD194063 probes_and_drugs
    DCACON CCDC
    47695 brenda
    HMDB0244164 hmdb
    Molport-001-766-690 molport
    The data in this table is sourced from UniChem at EBI.