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/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
SMILES c1ccc2c(c1)oc1c2cccc1
InChI Key TXCDCPKCNAJMEE-UHFFFAOYSA-N
Molecular Formula C12H8O
Exact Mass 168.191 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TXCDCPKCNAJMEE-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/TXCDCPKCNAJMEE-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • dibenzofuran
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28145 chebi
    1IT rcsb_pdb
    CHEMBL277497 chembl
    29635704 surechembl
    8207 surechembl
    568 pubchem
    8U54U639VI fdasrs
    PD218903 probes_and_drugs
    DBZFUR CCDC
    13277 brenda
    48985 brenda
    HMDB0251164 hmdb
    Molport-001-768-876 molport
    50408362 bindingdb
    The data in this table is sourced from UniChem at EBI.