Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C30H26Cl2FN3O2/c1-2-38-30(37)29-12-17(24-15-34-26-9-3-18(31)13-22(24)26)11-28(36(29)21-7-5-20(33)6-8-21)25-16-35-27-10-4-19(32)14-23(25)27/h3-10,13-17,28-29,34-35H,2,11-12H2,1H3/t17-,28-,29-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)F)c1c[nH]c2c1cc(Cl)cc2)c1c[nH]c2c1cc(Cl)cc2
InChI Key ZWXGLBSAKPYMKR-DXWDKFENSA-N
Molecular Formula C30H26Cl2FN3O2
Exact Mass 550.451 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZWXGLBSAKPYMKR-DXWDKFENSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZWXGLBSAKPYMKR-DXWDKFENSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(5-chloro-1H-indol-3-yl)-1-(4-fluorophenyl)piperidine-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453463 pubchem
    The data in this table is sourced from UniChem at EBI.