Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H20O2/c1-13(2)17-10-9-14(3)18-12-16(20(21)22-19(17)18)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
SMILES O=c1oc2c(ccc(c2cc1Cc1ccccc1)C)C(C)C
InChI Key WNXYNMKVCJSJKO-UHFFFAOYSA-N
Molecular Formula C20H20O2
Exact Mass 292.372 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNXYNMKVCJSJKO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WNXYNMKVCJSJKO-UHFFFAOYSA-N/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-06
Related Molecule
  • 3-benzyl-5-methyl-8-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145997949 PubChem
    The data in this table is sourced from UniChem at EBI.