Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H13N5/c1-2-3-6-10-12-14-15-16-17(12)11-8-5-4-7-9(11)13-10/h4-5,7-8H,2-3,6H2,1H3
SMILES CCCCc1nc2ccccc2n2c1nnn2
InChI Key GJMVSOMTQNKTIG-UHFFFAOYSA-N
Exact Mass 227.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJMVSOMTQNKTIG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GJMVSOMTQNKTIG-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-butyltetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877760 pubchem
    The data in this table is sourced from UniChem at EBI.