Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C13H13N5O/c1-9-7-13(16-14-9)18-8-12(15-17-18)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,14,16)
SMILES COc1ccc(cc1)c1nnn(c1)c1n[nH]c(c1)C
InChI Key WNRIJNCEJHFAPB-UHFFFAOYSA-N
Molecular Formula C13H13N5O
Exact Mass 255.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNRIJNCEJHFAPB-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/WNRIJNCEJHFAPB-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-(4-methoxyphenyl)-1-(5-methyl-1H-pyrazol-3-yl)triazole
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.