Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H21NO4/c1-5-15-10(14)8-12-7-6-9(13)16-11(2,3)4/h12H,5-8H2,1-4H3
SMILES CCOC(=O)CNCCC(=O)OC(C)(C)C
InChI Key MGONIJZZOSXFHN-UHFFFAOYSA-N
Molecular Formula C11H21NO4
Exact Mass 231.289 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MGONIJZZOSXFHN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MGONIJZZOSXFHN-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL15194399 SureChEMBL
    J3.095.362B Nikkaji
    89755614 PubChem
    ZINC000190885844 ZINC
    The data in this table is sourced from UniChem at EBI.