Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H17N/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14,22H,17H2
SMILES c1ccc(cc1)CNc1ccccc1C#Cc1ccccc1
InChI Key IBVZZAGOGYLVHY-UHFFFAOYSA-N
Molecular Formula C21H17N
Exact Mass 283.366 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBVZZAGOGYLVHY-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IBVZZAGOGYLVHY-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-03
Related Molecule
  • N-benzyl-2-(2-phenylethynyl)aniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29013447 surechembl
    13114046 pubchem
    The data in this table is sourced from UniChem at EBI.