Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
SMILES O=Cc1ccc2c(n1)c1nc(C=O)ccc1cc2
InChI Key RHXOPVFYZBGQGA-UHFFFAOYSA-N
Exact Mass 236.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RHXOPVFYZBGQGA-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/RHXOPVFYZBGQGA-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 1,10-phenanthroline-2,9-dicarbaldehyde
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2205803 chembl
    1088335 surechembl
    602123 pubchem
    SIFLIF CCDC
    50978842 bindingdb
    50978869 bindingdb
    50978890 bindingdb
    50978914 bindingdb
    50978931 bindingdb
    50978942 bindingdb
    50978958 bindingdb
    50978980 bindingdb
    Molport-001-786-993 molport
    The data in this table is sourced from UniChem at EBI.