Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-8-6-5-7-11-9(8)12-13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
SMILES [F-][P](F)(F)(F)(F)F.CN([C+](N(C)C)On1nnc2c1cccn2)C
InChI Key RJTWPYLEDFQYIM-UHFFFAOYSA-N
Molecular Formula C10H15F6N6OP
Exact Mass 380.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RJTWPYLEDFQYIM-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/RJTWPYLEDFQYIM-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium;hexafluorophosphate
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CC01011

    date : 20240229

    starting time : 19.47 h

    label : SVS-2858

    id : 297580

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    16256667 PubChem: Thomson Pharma
    11176438 PubChem
    The data in this table is sourced from UniChem at EBI.