Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3
SMILES CCCCCCCCOc1nc2ccccc2nc1n1nnc(c1)CCCC
InChI Key LLIFJUSOCGDGIZ-UHFFFAOYSA-N
Exact Mass 381.514 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLIFJUSOCGDGIZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LLIFJUSOCGDGIZ-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-(4-butyltriazol-1-yl)-3-octoxyquinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877770 pubchem
    The data in this table is sourced from UniChem at EBI.