Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H24N8/c1-3-5-7-15-13-27(25-23-15)17-9-10-18-19(11-17)21-12-20(22-18)28-14-16(24-26-28)8-6-4-2/h9-14H,3-8H2,1-2H3
SMILES CCCCc1nnn(c1)c1ccc2c(c1)ncc(n2)n1nnc(c1)CCCC
InChI Key XWMPENQMECOOGG-UHFFFAOYSA-N
Exact Mass 376.458 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XWMPENQMECOOGG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XWMPENQMECOOGG-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2,6-bis(4-butyltriazol-1-yl)quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877797 pubchem
    The data in this table is sourced from UniChem at EBI.