Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C31H29F2N3O3/c1-3-39-31(37)30-13-18(25-16-34-27-14-19(32)4-10-23(25)27)12-29(36(30)21-6-8-22(38-2)9-7-21)26-17-35-28-15-20(33)5-11-24(26)28/h4-11,14-18,29-30,34-35H,3,12-13H2,1-2H3/t18-,29-,30-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)OC)c1c[nH]c2c1ccc(c2)F)c1c[nH]c2c1ccc(c2)F
InChI Key OKQDAHHBTSZMHD-XJYZWLLDSA-N
Molecular Formula C31H29F2N3O3
Exact Mass 529.577 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OKQDAHHBTSZMHD-XJYZWLLDSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OKQDAHHBTSZMHD-XJYZWLLDSA-N/IR
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(6-fluoro-1H-indol-3-yl)-1-(4-methoxyphenyl)piperidine-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427466 PubChem
    The data in this table is sourced from UniChem at EBI.