Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+
SMILES OC(=O)/C=C/c1cccc2c1cccc2
InChI Key WPXMLUUYWNHQOR-CMDGGOBGSA-N
Molecular Formula C13H10O2
Exact Mass 198.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WPXMLUUYWNHQOR-CMDGGOBGSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WPXMLUUYWNHQOR-CMDGGOBGSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • (E)-3-naphthalen-1-ylprop-2-enoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2102991584 Mcule
    SCHEMBL79668 SureChEMBL
    1521748 PubChem
    1106499 eMolecules
    13026-12-5 ACToR
    J307.509E Nikkaji
    J325.057A Nikkaji
    ZINC000001446446 ZINC
    NENJEX CCDC
    CB4287140 ChemicalBook
    The data in this table is sourced from UniChem at EBI.