Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
SMILES CCCCCCCCCCCN
InChI Key QFKMMXYLAPZKIB-UHFFFAOYSA-N
Molecular Formula C11H25N
Exact Mass 171.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFKMMXYLAPZKIB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QFKMMXYLAPZKIB-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • undecan-1-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15120461 PubChem: Thomson Pharma
    7307-55-3 ACToR
    SCHEMBL131526 SureChEMBL
    CB5729209 ChemicalBook
    J97.643A Nikkaji
    UZE26A4KO1 FDA SRS
    ZINC000001545437 ZINC
    DTXSID3022249 EPA CompTox Dashboard
    533116 eMolecules
    81742 PubChem
    The data in this table is sourced from UniChem at EBI.