Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C32H31Br2N3O2/c1-4-39-32(38)29-13-20(26-16-35-30-18(2)10-21(33)14-24(26)30)12-28(37(29)23-8-6-5-7-9-23)27-17-36-31-19(3)11-22(34)15-25(27)31/h5-11,14-17,20,28-29,35-36H,4,12-13H2,1-3H3/t20-,28-,29-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cc(Br)cc2C)c1c[nH]c2c1cc(Br)cc2C
InChI Key IHJRTSIVDQBACF-ADUSHDQVSA-N
Molecular Formula C32H31Br2N3O2
Exact Mass 649.415 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IHJRTSIVDQBACF-ADUSHDQVSA-N/NMR/13C/acetone/100
License URL
Source https://www.chemotion-repository.net/inchikey/IHJRTSIVDQBACF-ADUSHDQVSA-N/NMR/13C/acetone/100
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(5-bromo-7-methyl-1H-indol-3-yl)-1-phenylpiperidine-2-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427463 pubchem
    The data in this table is sourced from UniChem at EBI.