Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

Molecular Image
InChI InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3
SMILES CCCc1cnc2n1c1ccccc1nc2C(F)(F)F
InChI Key GEXLHYFGXFLJLL-UHFFFAOYSA-N
Exact Mass 279.260 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GEXLHYFGXFLJLL-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/GEXLHYFGXFLJLL-UHFFFAOYSA-N/CHMO0001148
Version
Author Kameswara Sishta
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 1-propyl-4-(trifluoromethyl)imidazo[1,2-a]quinoxaline
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : LSH-KSS-R36_2 (F6-9)

    date : 20240215

    starting time : 0.34 h

    label : LSH-1242

    id : 114652

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172877816 pubchem
    The data in this table is sourced from UniChem at EBI.