Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H6N2/c1-3-9-7-11-12(8-10(9)4-2)14-6-5-13-11/h1-2,5-8H
SMILES C#Cc1cc2nccnc2cc1C#C
InChI Key NEJQSHATJKHROR-UHFFFAOYSA-N
Exact Mass 178.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NEJQSHATJKHROR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NEJQSHATJKHROR-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6,7-diethynylquinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163495903 PubChem: Thomson Pharma
    71508158 PubChem
    The data in this table is sourced from UniChem at EBI.