Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
SMILES C#Cc1ccc(cc1)F
InChI Key QXSWHQGIEKUBAS-UHFFFAOYSA-N
Molecular Formula C8H5F
Exact Mass 120.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXSWHQGIEKUBAS-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/QXSWHQGIEKUBAS-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:10:51.142721
MetadataModified 2024-09-08T03:10:51.142727
MetadataPublished 2024-03-20
Related Molecule
  • 1-ethynyl-4-fluorobenzene
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10335017 EPA CompTox Dashboard
    J146.410H Nikkaji
    NECMUD CCDC
    CHEMBL233810 ChEMBL
    CB5293061 ChemicalBook
    ZINC000002534483 ZINC
    10008588 NMRShiftDB
    522627 PubChem
    766-98-3 ACToR
    SCHEMBL186243 SureChEMBL
    16080725 PubChem: Thomson Pharma
    505044 eMolecules
    The data in this table is sourced from UniChem at EBI.