Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,1-3H3
SMILES COc1cc(OC)cc(c1c1ccc(cc1)C#N)OC
InChI Key BGQGHHUADYGIPR-UHFFFAOYSA-N
Molecular Formula C16H15NO3
Exact Mass 269.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BGQGHHUADYGIPR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BGQGHHUADYGIPR-UHFFFAOYSA-N/CHMO0000593
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 4-(2,4,6-trimethoxyphenyl)benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72942947 pubchem
    The data in this table is sourced from UniChem at EBI.