Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H21N/c1-5-10(3)12-8-7-9-13(14-12)11(4)6-2/h7-11H,5-6H2,1-4H3
SMILES CCC(c1cccc(n1)C(CC)C)C
InChI Key PUZXAVHMXPRPRG-UHFFFAOYSA-N
Molecular Formula C13H21N
Exact Mass 191.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PUZXAVHMXPRPRG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PUZXAVHMXPRPRG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,6-di(butan-2-yl)pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19593489 PubChem
    SCHEMBL3631871 SureChEMBL
    The data in this table is sourced from UniChem at EBI.