Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C30H28BrN3O2/c1-2-36-30(35)29-16-19(24-17-32-26-9-5-3-7-22(24)26)15-28(34(29)21-13-11-20(31)12-14-21)25-18-33-27-10-6-4-8-23(25)27/h3-14,17-19,28-29,32-33H,2,15-16H2,1H3/t19-,28-,29-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)Br)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI Key IEOGWYQIGYTIBP-GULPDURKSA-N
Molecular Formula C30H28BrN3O2
Exact Mass 542.466 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IEOGWYQIGYTIBP-GULPDURKSA-N/NMR/13C/acetone/100
License URL
Source https://www.chemotion-repository.net/inchikey/IEOGWYQIGYTIBP-GULPDURKSA-N/NMR/13C/acetone/100
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (2S,4S,6S)-1-(4-bromophenyl)-4,6-bis(1H-indol-3-yl)piperidine-2-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427461 pubchem
    The data in this table is sourced from UniChem at EBI.