Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3
SMILES NCCCC(=O)OC(C)(C)C
InChI Key XFZZZOMHBHBURH-UHFFFAOYSA-N
Molecular Formula C8H17NO2
Exact Mass 159.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFZZZOMHBHBURH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XFZZZOMHBHBURH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 4-aminobutanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    648724 surechembl
    7020335 pubchem
    Molport-014-449-428 molport
    The data in this table is sourced from UniChem at EBI.