Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
SMILES CC(=O)c1ccc(cc1)c1ccccc1
InChI Key QCZZSANNLWPGEA-UHFFFAOYSA-N
Molecular Formula C14H12O
Exact Mass 196.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-(4-phenylphenyl)ethanone
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1522504 ChEMBL
    ZINC000001504550 ZINC
    J39.596J Nikkaji
    DTXSID6052619 EPA CompTox Dashboard
    221658 Brenda
    15322370 PubChem: Thomson Pharma
    92-91-1 ACToR
    474659 eMolecules
    MCULE-1215936696 Mcule
    7113 PubChem
    SCHEMBL51207 SureChEMBL
    218278 Brenda
    CB9854664 ChemicalBook
    212872 Brenda
    The data in this table is sourced from UniChem at EBI.