Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/XHLHPRDBBAGVEG-UHFFFAOYSA-N/CHMO0001150
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–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL193373 ChEMBL
    21444 Brenda
    48392 Brenda
    CB7903647 ChemicalBook
    DTXSID2027175 EPA CompTox Dashboard
    J6.684B Nikkaji
    HMDB0248243 Human Metabolome Database
    PASHEX CCDC
    50159254 BindingDB
    175031 Brenda
    CB7357499 ChemicalBook
    7745 Brenda
    204281 Brenda
    176004 Brenda
    51336 Brenda
    ZINC000003860775 ZINC
    10008887 NMRShiftDB
    MCULE-2380271774 Mcule
    10724 PubChem
    6VT52A15HY FDA SRS
    529-34-0 ACToR
    14916116 PubChem: Thomson Pharma
    SCHEMBL44545 SureChEMBL
    15146807 PubChem: Thomson Pharma
    29059-07-2 ACToR
    532132 eMolecules
    The data in this table is sourced from UniChem at EBI.