Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H11N7/c1-2-4-15-13(3-1)21-10-17(22-15)18-11-25(24-23-18)12-5-6-14-16(9-12)20-8-7-19-14/h1-11H
SMILES c1ccc2c(c1)nc(cn2)c1nnn(c1)c1ccc2c(c1)nccn2
InChI Key XQQZUTAGFPRREI-UHFFFAOYSA-N
Exact Mass 325.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQQZUTAGFPRREI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XQQZUTAGFPRREI-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-(1-quinoxalin-6-yltriazol-4-yl)quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877785 pubchem
    The data in this table is sourced from UniChem at EBI.