Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)
SMILES CC(=O)OCc1nnn(c1)c1n[nH]c(c1)C
InChI Key LUTGSYAMTQUJGA-UHFFFAOYSA-N
Molecular Formula C9H11N5O2
Exact Mass 221.216 g/mol

Data and Resources

Metadata Information

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