Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H13N5O2/c1-2-21-14(20)11-8-15-17-13(11)19-9-12(16-18-19)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,17)
SMILES CCOC(=O)c1c[nH]nc1n1nnc(c1)c1ccccc1
InChI Key JZSBUPSAIWVYFE-UHFFFAOYSA-N
Molecular Formula C14H13N5O2
Exact Mass 283.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JZSBUPSAIWVYFE-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/JZSBUPSAIWVYFE-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 5-(4-phenyltriazol-1-yl)-1H-pyrazole-4-carboxylate
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459325 pubchem
    The data in this table is sourced from UniChem at EBI.