Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H32FNO4/c1-13(2)17-9-8-14(3)10-20(17)29-22(26)18-12-19(23(27)28-4)25-21(18)15-6-5-7-16(24)11-15/h5-7,11,13-14,17-21,25H,8-10,12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1
SMILES COC(=O)[C@@H]1C[C@@H]([C@@H](N1)c1cccc(c1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key INTXJWULROQSSK-CBQIQWOPSA-N
Molecular Formula C23H32FNO4
Exact Mass 405.503 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/INTXJWULROQSSK-CBQIQWOPSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/INTXJWULROQSSK-CBQIQWOPSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-O-methyl 4-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4S,5R)-5-(3-fluorophenyl)pyrrolidine-2,4-dicarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453495 pubchem
    The data in this table is sourced from UniChem at EBI.