Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/TXCDCPKCNAJMEE-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • dibenzofuran
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL277497 ChEMBL
    C07729 KEGG Ligand
    28145 ChEBI
    1IT PDBe
    13277 Brenda
    DTXSID2021993 EPA CompTox Dashboard
    DBZFUR CCDC
    HMDB0251164 Human Metabolome Database
    J2.522D Nikkaji
    50408362 BindingDB
    15339646 PubChem: Thomson Pharma
    SCHEMBL8207 SureChEMBL
    132-64-9 ACToR
    8U54U639VI FDA SRS
    490003 eMolecules
    48985 Brenda
    ZINC000003861058 ZINC
    CB0338385 ChemicalBook
    28145 Rhea
    568 PubChem
    10008777 NMRShiftDB
    MCULE-9430669072 Mcule
    The data in this table is sourced from UniChem at EBI.