Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2
SMILES N#Cc1cc2CCc3ccc(CCc1cc2)cc3C#N
InChI Key ZNAXZVWVJHSCLK-UHFFFAOYSA-N
Molecular Formula C18H14N2
Exact Mass 258.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNAXZVWVJHSCLK-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZNAXZVWVJHSCLK-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbonitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.