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/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
SMILES ClCC(OC)(OC)OC
InChI Key NPEIUNVTLXEOLT-UHFFFAOYSA-N
Exact Mass 154.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NPEIUNVTLXEOLT-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/NPEIUNVTLXEOLT-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-27
Related Molecule
  • 2-chloro-1,1,1-trimethoxyethane
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID40225932 EPA CompTox Dashboard
    ZINC000002558997 ZINC
    J620.969F Nikkaji
    CB4189877 ChemicalBook
    507999 eMolecules
    15066417 PubChem: Thomson Pharma
    74974-54-2 ACToR
    144702 PubChem
    SCHEMBL201361 SureChEMBL
    The data in this table is sourced from UniChem at EBI.