Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
SMILES NCCC(=O)OC(C)(C)C
InChI Key ZJXHVYSDMUKUCA-UHFFFAOYSA-N
Molecular Formula C7H15NO2
Exact Mass 145.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJXHVYSDMUKUCA-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZJXHVYSDMUKUCA-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 3-aminopropanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    132540 surechembl
    4192171 pubchem
    PD196488 probes_and_drugs
    Molport-006-067-284 molport
    The data in this table is sourced from UniChem at EBI.