Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H15IO3/c1-22-17-11-15(18(21)14-9-5-6-10-16(14)20)19(23-2)13-8-4-3-7-12(13)17/h3-11H,1-2H3
SMILES COc1c(cc(c2c1cccc2)OC)C(=O)c1ccccc1I
InChI Key VIFKGORYWDYOJX-UHFFFAOYSA-N
Molecular Formula C19H15IO3
Exact Mass 418.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIFKGORYWDYOJX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VIFKGORYWDYOJX-UHFFFAOYSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (1,4-dimethoxynaphthalen-2-yl)-(2-iodophenyl)methanone
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.290.750D Nikkaji
    UYUDEA CCDC
    102125950 PubChem
    The data in this table is sourced from UniChem at EBI.