Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H23NO4/c1-16(2,3)21-14(18)9-10-17-11-15(19)20-12-13-7-5-4-6-8-13/h4-8,17H,9-12H2,1-3H3
SMILES O=C(OCc1ccccc1)CNCCC(=O)OC(C)(C)C
InChI Key SDTZMMHGVHGEJQ-UHFFFAOYSA-N
Molecular Formula C16H23NO4
Exact Mass 293.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SDTZMMHGVHGEJQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SDTZMMHGVHGEJQ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]propanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    58020928 PubChem
    SCHEMBL557536 SureChEMBL
    ZINC000114085678 ZINC
    The data in this table is sourced from UniChem at EBI.