Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H14N8/c1-2-3-4-10-9-21(19-16-10)11-5-6-13-12(7-11)15-8-14-17-18-20-22(13)14/h5-9H,2-4H2,1H3
SMILES CCCCc1nnn(c1)c1ccc2c(c1)ncc1n2nnn1
InChI Key PIJAIUWNVGFNRA-UHFFFAOYSA-N
Exact Mass 294.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIJAIUWNVGFNRA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PIJAIUWNVGFNRA-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 7-(4-butyltriazol-1-yl)tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877775 pubchem
    The data in this table is sourced from UniChem at EBI.