Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1c(F)cccc1F
InChI Key ADHKLRLGCVHQCG-UHFFFAOYSA-N
Molecular Formula C12H15BF2O2
Exact Mass 240.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ADHKLRLGCVHQCG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ADHKLRLGCVHQCG-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44717719 PubChem
    17266715 eMolecules
    SCHEMBL15026275 SureChEMBL
    DTXSID20660307 EPA CompTox Dashboard
    J3.294.934G Nikkaji
    ZINC000169747283 ZINC
    CB21107269 ChemicalBook
    The data in this table is sourced from UniChem at EBI.