Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
SMILES CC(C(=O)c1ccc(cc1)c1ccccc1)C
InChI Key FZSKUIANBTUIJW-UHFFFAOYSA-N
Molecular Formula C16H16O
Exact Mass 224.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZSKUIANBTUIJW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FZSKUIANBTUIJW-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 2-methyl-1-(4-phenylphenyl)propan-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2625198 surechembl
    230208 pubchem
    DTXSID50282177 comptox
    Molport-006-671-323 molport
    The data in this table is sourced from UniChem at EBI.