Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)12-7-10(4)14(15)16-13(11)12/h5-8H,1-4H3
SMILES Cc1cc2c(C)ccc(c2oc1=O)C(C)C
InChI Key LSYXPDGXGOSFCW-UHFFFAOYSA-N
Molecular Formula C14H16O2
Exact Mass 216.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LSYXPDGXGOSFCW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LSYXPDGXGOSFCW-UHFFFAOYSA-N/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-06
Related Molecule
  • 3,5-dimethyl-8-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145997950 PubChem
    The data in this table is sourced from UniChem at EBI.