Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C30H29N3O2/c1-2-35-30(34)29-17-20(24-18-31-26-14-8-6-12-22(24)26)16-28(33(29)21-10-4-3-5-11-21)25-19-32-27-15-9-7-13-23(25)27/h3-15,18-20,28-29,31-32H,2,16-17H2,1H3/t20-,28-,29-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI Key SFSZMAIUEUQOTA-ADUSHDQVSA-N
Molecular Formula C30H29N3O2
Exact Mass 463.570 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SFSZMAIUEUQOTA-ADUSHDQVSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/SFSZMAIUEUQOTA-ADUSHDQVSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(1H-indol-3-yl)-1-phenylpiperidine-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427430 PubChem
    HOGFAM CCDC
    The data in this table is sourced from UniChem at EBI.