Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)
SMILES c1ccc2c(c1)nc1c(n2)[nH]c2c1cccc2
InChI Key LCKIWLDOHFUYDV-UHFFFAOYSA-N
Exact Mass 219.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LCKIWLDOHFUYDV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LCKIWLDOHFUYDV-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6H-indolo[3,2-b]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    278729 surechembl
    29572859 surechembl
    30277951 surechembl
    717809 surechembl
    5356192 pubchem
    FITZEO CCDC
    Molport-000-208-073 molport
    Molport-000-707-003 molport
    42826 bindingdb
    The data in this table is sourced from UniChem at EBI.