Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
SMILES OC(=O)CCP(c1ccccc1)c1ccccc1
InChI Key OTSIFUHGOBFOTH-UHFFFAOYSA-N
Molecular Formula C15H15O2P
Exact Mass 258.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTSIFUHGOBFOTH-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/OTSIFUHGOBFOTH-UHFFFAOYSA-N/IR.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-11
Related Molecule
  • 3-diphenylphosphanylpropanoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3709176 PubChem
    MCULE-1680052976 Mcule
    1964693 eMolecules
    16059628 PubChem: Thomson Pharma
    SCHEMBL1095111 SureChEMBL
    DTXSID40395341 EPA CompTox Dashboard
    ZINC000003099499 ZINC
    J2.480.966H Nikkaji
    RAHNAS CCDC
    The data in this table is sourced from UniChem at EBI.