Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C19H14N6/c1-14-11-19(22-25(14)17-9-7-15(12-20)8-10-17)24-13-18(21-23-24)16-5-3-2-4-6-16/h2-11,13H,1H3
SMILES N#Cc1ccc(cc1)n1nc(cc1C)n1nnc(c1)c1ccccc1
InChI Key QJHTUPAVPUUSNY-UHFFFAOYSA-N
Molecular Formula C19H14N6
Exact Mass 326.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source https://www.chemotion-repository.net/inchikey/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000601.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-[5-methyl-3-(4-phenyltriazol-1-yl)pyrazol-1-yl]benzonitrile
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : SG-V4021 (9-22)

    date : 20231110

    starting time : 10.41 h

    label : SG-3407

    id : 282569

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.