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/C22H22N6O/c1-3-4-7-18-14-28(27-26-18)22-21(24-19-8-5-6-9-20(19)25-22)23-17-12-10-16(11-13-17)15(2)29/h5-6,8-14H,3-4,7H2,1-2H3,(H,23,24)
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1Nc1ccc(cc1)C(=O)C
InChI Key WGMOCILRUYTMIW-UHFFFAOYSA-N
Molecular Formula C22H22N6O
Exact Mass 386.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WGMOCILRUYTMIW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WGMOCILRUYTMIW-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 1-[4-[[3-(4-butyltriazol-1-yl)quinoxalin-2-yl]amino]phenyl]ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623384 PubChem
    The data in this table is sourced from UniChem at EBI.