Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
SMILES CCCCCCCCCCCCOC(=O)C(O)C
InChI Key QQQMUBLXDAFBRH-UHFFFAOYSA-N
Molecular Formula C15H30O3
Exact Mass 258.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QQQMUBLXDAFBRH-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/QQQMUBLXDAFBRH-UHFFFAOYSA-N/IR.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-27
Related Molecule
  • dodecyl 2-hydroxypropanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    33838 surechembl
    22692 pubchem
    G5SU0BFK7O fdasrs
    DTXSID40863737 comptox
    Molport-006-117-706 molport
    The data in this table is sourced from UniChem at EBI.