Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H20BFO2/c1-4-5-11-6-7-12(8-13(11)16)15-17-9-14(2,3)10-18-15/h6-8H,4-5,9-10H2,1-3H3
SMILES CCCc1ccc(cc1F)B1OCC(CO1)(C)C
InChI Key FGQGKTBEAZWFCF-UHFFFAOYSA-N
Molecular Formula C14H20BFO2
Exact Mass 250.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGQGKTBEAZWFCF-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/FGQGKTBEAZWFCF-UHFFFAOYSA-N/CHMO0000597
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 2-(3-fluoro-4-propylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.908.700J Nikkaji
    16168974 PubChem: Thomson Pharma
    11096981 PubChem
    The data in this table is sourced from UniChem at EBI.