Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C12H15N5O2/c1-19-12(18)10-8-17(15-13-10)11-6-7-16(14-11)9-4-2-3-5-9/h6-9H,2-5H2,1H3
SMILES COC(=O)c1nnn(c1)c1ccn(n1)C1CCCC1
InChI Key RZTMDUAYRSTLAQ-UHFFFAOYSA-N
Molecular Formula C12H15N5O2
Exact Mass 261.280 g/mol

Data and Resources

Metadata Information

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