Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES CCCCCCCCC(=O)c1ccco1
InChI Key IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula C13H20O2
Exact Mass 208.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • 1-(furan-2-yl)nonan-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4323817 eMolecules
    16203377 PubChem: Thomson Pharma
    SCHEMBL4382929 SureChEMBL
    J371.321K Nikkaji
    3779043 PubChem
    The data in this table is sourced from UniChem at EBI.