Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H12N2/c18-13-14-8-10-15(11-9-14)17-7-4-12-19(17)16-5-2-1-3-6-16/h1-12H
SMILES N#Cc1ccc(cc1)c1cccn1c1ccccc1
InChI Key OECZCMUJGNMIIK-UHFFFAOYSA-N
Molecular Formula C17H12N2
Exact Mass 244.291 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OECZCMUJGNMIIK-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/OECZCMUJGNMIIK-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 4-(1-phenylpyrrol-2-yl)benzonitrile
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.803.499G Nikkaji
    102166447 PubChem
    The data in this table is sourced from UniChem at EBI.