Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
SMILES S=C(N[C@@H](C(C)(C)C)C(=O)N(Cc1ccccc1)C)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key LTFFYVVCUVYZPE-GOSISDBHSA-N
Molecular Formula C23H25F6N3OS
Exact Mass 505.520 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTFFYVVCUVYZPE-GOSISDBHSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LTFFYVVCUVYZPE-GOSISDBHSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44541120 pubchem
    DAHNOS CCDC
    Molport-039-139-377 molport
    The data in this table is sourced from UniChem at EBI.