Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)11-8-17(16-14-11)12-6-7-13-15-12/h2-8H,1H3,(H,13,15)
SMILES COc1ccc(cc1)c1nnn(c1)c1n[nH]cc1
InChI Key PQOYNAQPLQYWLU-UHFFFAOYSA-N
Molecular Formula C12H11N5O
Exact Mass 241.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)triazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.