Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H29F12NOSi/c1-4-42(5-2,6-3)41-23(22-8-7-9-40-22,16-10-18(24(28,29)30)14-19(11-16)25(31,32)33)17-12-20(26(34,35)36)15-21(13-17)27(37,38)39/h10-15,22,40H,4-9H2,1-3H3/t22-/m0/s1
SMILES CC[Si](OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H]1CCCN1)(CC)CC
InChI Key ZWQDXQHXJZYMSN-QFIPXVFZSA-N
Molecular Formula C27H29F12NOSi
Exact Mass 639.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZWQDXQHXJZYMSN-QFIPXVFZSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZWQDXQHXJZYMSN-QFIPXVFZSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-triethylsilane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26733956 PubChem: Thomson Pharma
    16747907 PubChem
    J2.354.056H Nikkaji
    SCHEMBL1504301 SureChEMBL
    The data in this table is sourced from UniChem at EBI.