Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C28H32O4Si/c1-18-16-17-22-23(29)20-14-10-11-15-21(20)25(31)28(22,24(30)19-12-8-7-9-13-19)26(18)32-33(5,6)27(2,3)4/h7-16,22,26H,17H2,1-6H3/t22-,26-,28+/m0/s1
SMILES CC1=CC[C@@H]2[C@@]([C@H]1O[Si](C(C)(C)C)(C)C)(C(=O)c1ccccc1)C(=O)c1c(C2=O)cccc1
InChI Key FTJJKQTWRHVXOI-CVTPTMSISA-N
Molecular Formula C28H32O4Si
Exact Mass 460.637 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FTJJKQTWRHVXOI-CVTPTMSISA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FTJJKQTWRHVXOI-CVTPTMSISA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1S,4aR,9aR)-9a-benzoyl-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453807 pubchem
    The data in this table is sourced from UniChem at EBI.