Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H17N/c1-3-4-5-6-9-12-10-7-8-11-13(12)14-2/h7-8,10-11,14H,3-5H2,1-2H3
SMILES CCCCC#Cc1ccccc1NC
InChI Key YRFAHHUWIPJDBV-UHFFFAOYSA-N
Molecular Formula C13H17N
Exact Mass 187.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRFAHHUWIPJDBV-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/YRFAHHUWIPJDBV-UHFFFAOYSA-N/CHMO0000630
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-26
Related Molecule
  • 2-hex-1-ynyl-N-methylaniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.863.237A Nikkaji
    101522580 PubChem
    The data in this table is sourced from UniChem at EBI.