Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
SMILES O=C(OCc1ccccc1)NCCC(=O)OC(C)(C)C
InChI Key RLEOEDXSMUQCMZ-UHFFFAOYSA-N
Molecular Formula C15H21NO4
Exact Mass 279.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLEOEDXSMUQCMZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RLEOEDXSMUQCMZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 3-(phenylmethoxycarbonylamino)propanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6049741 surechembl
    4585488 pubchem
    Molport-002-494-199 molport
    The data in this table is sourced from UniChem at EBI.