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/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
SMILES O=C1CCCc2c1cccc2
InChI Key XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molecular Formula C10H10O
Exact Mass 146.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHLHPRDBBAGVEG-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/XHLHPRDBBAGVEG-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • 3,4-dihydro-2H-naphthalen-1-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL193373 chembl
    29351871 surechembl
    44545 surechembl
    10724 pubchem
    6VT52A15HY fdasrs
    PD216953 probes_and_drugs
    PASHEX CCDC
    163774 brenda
    175031 brenda
    176004 brenda
    204281 brenda
    21444 brenda
    48392 brenda
    51336 brenda
    7745 brenda
    HMDB0248243 hmdb
    Molport-001-759-824 molport
    50159254 bindingdb
    The data in this table is sourced from UniChem at EBI.