Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3/t12-/m0/s1
SMILES CCCCCCCC[C@@H](c1ccco1)O
InChI Key WCDUEUSLTDIZHW-LBPRGKRZSA-N
Molecular Formula C13H22O2
Exact Mass 210.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WCDUEUSLTDIZHW-LBPRGKRZSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WCDUEUSLTDIZHW-LBPRGKRZSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (1S)-1-(furan-2-yl)nonan-1-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416634 pubchem
    The data in this table is sourced from UniChem at EBI.