Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H32B2O4/c1-13-11-16(22-25-19(7,8)20(9,10)26-22)14(2)12-15(13)21-23-17(3,4)18(5,6)24-21/h11-12H,1-10H3
SMILES CC1(C)OB(OC1(C)C)c1cc(C)c(cc1C)B1OC(C(O1)(C)C)(C)C
InChI Key PGUJTLXJHQLAPJ-UHFFFAOYSA-N
Molecular Formula C20H32B2O4
Exact Mass 358.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PGUJTLXJHQLAPJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PGUJTLXJHQLAPJ-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZAPYOH CCDC
    CB62490373 ChemicalBook
    ZINC000169904431 ZINC
    DTXSID60479172 EPA CompTox Dashboard
    J1.429.352C Nikkaji
    SCHEMBL12374406 SureChEMBL
    29814903 eMolecules
    12173626 PubChem
    The data in this table is sourced from UniChem at EBI.