Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H11N5/c1-2-13-7-9-14(10-8-13)17-12-23(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18/h1,3-12H
SMILES C#Cc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2
InChI Key UFXVPOPCEVYKQB-UHFFFAOYSA-N
Molecular Formula C18H11N5
Exact Mass 297.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFXVPOPCEVYKQB-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/UFXVPOPCEVYKQB-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 2-[4-(4-ethynylphenyl)triazol-1-yl]quinoxaline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623394 PubChem
    The data in this table is sourced from UniChem at EBI.