Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H21BO4/c1-10-9-11(13(17)18-6)7-8-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
SMILES COC(=O)c1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
InChI Key RDBWYSWPXDSHOE-UHFFFAOYSA-N
Molecular Formula C15H21BO4
Exact Mass 276.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RDBWYSWPXDSHOE-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 3-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
    203450 surechembl
    30963922 surechembl
    11087024 pubchem
    Molport-006-715-965 molport
    The data in this table is sourced from UniChem at EBI.