Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H32N2O3/c1-26(2,3)31-24(29)23-5-4-16-28(23)25(30)27-22-17-20-11-10-18-6-8-19(9-7-18)12-14-21(22)15-13-20/h6-9,13,15,17,23H,4-5,10-12,14,16H2,1-3H3,(H,27,30)/t23-/m1/s1
SMILES O=C([C@H]1CCCN1C(=O)Nc1cc2ccc1CCc1ccc(CC2)cc1)OC(C)(C)C
InChI Key RIJPILMKAGSMQK-HSZRJFAPSA-N
Molecular Formula C26H32N2O3
Exact Mass 420.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RIJPILMKAGSMQK-HSZRJFAPSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/RIJPILMKAGSMQK-HSZRJFAPSA-N/CHMO0000630.1
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • tert-butyl (2R)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylcarbamoyl)pyrrolidine-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394346 pubchem
    The data in this table is sourced from UniChem at EBI.