Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H10N6O2/c1-22-14(21)10-4-2-9(3-5-10)12-8-20(19-17-12)13-11(6-15)7-16-18-13/h2-5,7-8H,1H3,(H,16,18)
SMILES COC(=O)c1ccc(cc1)c1nnn(c1)c1n[nH]cc1C#N
InChI Key FXIYGLHLKLOXQB-UHFFFAOYSA-N
Molecular Formula C14H10N6O2
Exact Mass 294.268 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FXIYGLHLKLOXQB-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/FXIYGLHLKLOXQB-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 4-[1-(4-cyano-1H-pyrazol-5-yl)triazol-4-yl]benzoate
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.