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/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2
SMILES FC(C1N(Cc2ccc(cc2)C(F)(F)F)c2ccccc2-n2c1nnn2)(F)F
InChI Key SOKMOIVIHVKKTO-UHFFFAOYSA-N
Exact Mass 399.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SOKMOIVIHVKKTO-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/SOKMOIVIHVKKTO-UHFFFAOYSA-N/CHMO0001148
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-4H-tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : LSH-R730 (F7-9)

    date : 20231114

    starting time : 0.55 h

    label : LSH-1937

    id : 277728

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172877817 pubchem
    The data in this table is sourced from UniChem at EBI.