Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C28H25F3N2O3/c1-36-27(35)24(15-19-7-3-2-4-8-19)32-26(34)16-21-18-33(25-10-6-5-9-23(21)25)17-20-11-13-22(14-12-20)28(29,30)31/h2-14,18,24H,15-17H2,1H3,(H,32,34)
SMILES COC(=O)C(Cc1ccccc1)NC(=O)Cc1cn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F
InChI Key TWMFZPLYRDRENG-UHFFFAOYSA-N
Molecular Formula C28H25F3N2O3
Exact Mass 494.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TWMFZPLYRDRENG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TWMFZPLYRDRENG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 3-phenyl-2-[[2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetyl]amino]propanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453816 pubchem
    The data in this table is sourced from UniChem at EBI.