Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H6N2/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9/h1-2,5-8H
SMILES C#Cc1nc2ccccc2nc1C#C
InChI Key HRPSROGUYINECB-UHFFFAOYSA-N
Exact Mass 178.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HRPSROGUYINECB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HRPSROGUYINECB-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 2,3-diethynylquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13464831 PubChem
    J891.869D Nikkaji
    ZINC000039134304 ZINC
    SCHEMBL11594354 SureChEMBL
    The data in this table is sourced from UniChem at EBI.