Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
SMILES CC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key ANGKVUVZQVUVJO-UHFFFAOYSA-N
Molecular Formula C14H20BNO3
Exact Mass 261.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ANGKVUVZQVUVJO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ANGKVUVZQVUVJO-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1284377 surechembl
    2734619 pubchem
    Molport-001-759-810 molport
    The data in this table is sourced from UniChem at EBI.