Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H11FN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
SMILES Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C
InChI Key WLMPCCSMVOBMIN-UHFFFAOYSA-N
Molecular Formula C14H11FN2
Exact Mass 226.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WLMPCCSMVOBMIN-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/WLMPCCSMVOBMIN-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000153302 ZINC
    50087866 PubChem: Thomson Pharma
    SCHEMBL1691890 SureChEMBL
    MCULE-1917318162 Mcule
    735806 PubChem
    1427324 eMolecules
    The data in this table is sourced from UniChem at EBI.