Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H18O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h3-12H,1-2,13-14H2
SMILES C=CCOc1ccc(cc1)C(=O)c1ccc(cc1)OCC=C
InChI Key VWIAUZQWMLBMKP-UHFFFAOYSA-N
Molecular Formula C19H18O3
Exact Mass 294.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWIAUZQWMLBMKP-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VWIAUZQWMLBMKP-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • bis(4-prop-2-enoxyphenyl)methanone
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL826744 SureChEMBL
    103022409 PubChem: Thomson Pharma
    J2.903.517B Nikkaji
    18413467 PubChem
    ZINC000114663731 ZINC
    The data in this table is sourced from UniChem at EBI.