Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H18FN5/c1-10(2)22-9-20-14-15(18-8-19-16(14)22)21-11(3)12-4-6-13(17)7-5-12/h4-11H,1-3H3,(H,18,19,21)/t11-/m0/s1
SMILES Fc1ccc(cc1)[C@@H](Nc1ncnc2c1ncn2C(C)C)C
InChI Key LIBVQLXBJTZSCT-NSHDSACASA-N
Molecular Formula C16H18FN5
Exact Mass 299.346 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIBVQLXBJTZSCT-NSHDSACASA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LIBVQLXBJTZSCT-NSHDSACASA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[(1S)-1-(4-fluorophenyl)ethyl]-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427473 pubchem
    The data in this table is sourced from UniChem at EBI.