Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H30F3N3O/c1-5-6-7-8-9-10-14-27-18(25-19(28)20(2,3)4)15-12-11-13-16(17(15)26-27)21(22,23)24/h11-13H,5-10,14H2,1-4H3,(H,25,28)
SMILES CCCCCCCCn1nc2c(c1NC(=O)C(C)(C)C)cccc2C(F)(F)F
InChI Key IUMDTROHWHKHGA-UHFFFAOYSA-N
Molecular Formula C21H30F3N3O
Exact Mass 397.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IUMDTROHWHKHGA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IUMDTROHWHKHGA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,2-dimethyl-N-[2-octyl-7-(trifluoromethyl)indazol-3-yl]propanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453672 PubChem
    The data in this table is sourced from UniChem at EBI.