Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H11FN2/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,1H3
SMILES Fc1ccc(cc1)c1cn2c(n1)c(C)ccc2
InChI Key UDBRHPCMIXCPEW-UHFFFAOYSA-N
Molecular Formula C14H11FN2
Exact Mass 226.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDBRHPCMIXCPEW-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/UDBRHPCMIXCPEW-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8806148202 Mcule
    1427322 eMolecules
    50088139 PubChem: Thomson Pharma
    805501 PubChem
    SCHEMBL4728827 SureChEMBL
    ZINC000000314971 ZINC
    DTXSID60355548 EPA CompTox Dashboard
    49348 BindingDB
    CHEMBL1433343 ChEMBL
    The data in this table is sourced from UniChem at EBI.