Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
SMILES COC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key REIZEQZILPXYKS-UHFFFAOYSA-N
Molecular Formula C14H19BO4
Exact Mass 262.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/REIZEQZILPXYKS-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    TASBUL CCDC
    J845.354C Nikkaji
    DTXSID10378500 EPA CompTox Dashboard
    ZINC000169743471 ZINC
    CB4345936 ChemicalBook
    171364-80-0 ACToR
    524160 eMolecules
    14798999 PubChem: Thomson Pharma
    SCHEMBL105161 SureChEMBL
    2773500 PubChem
    The data in this table is sourced from UniChem at EBI.