Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
SMILES CCCCCN
InChI Key DPBLXKKOBLCELK-UHFFFAOYSA-N
Molecular Formula C5H13N
Exact Mass 87.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPBLXKKOBLCELK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DPBLXKKOBLCELK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • pentan-1-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02045 drugbank
    CHEBI:74848 chebi
    AML rcsb_pdb
    7886 surechembl
    8060 pubchem
    E05QM3V8EF fdasrs
    PD008194 probes_and_drugs
    QOBHOG CCDC
    104250 brenda
    10880 brenda
    127783 brenda
    15871 brenda
    31563 brenda
    32590 brenda
    4143 brenda
    6623 brenda
    96985 brenda
    AML - Ideal conformer pdbe
    HMDB0248371 hmdb
    Molport-001-759-278 molport
    The data in this table is sourced from UniChem at EBI.