Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C32H31Br2N3O2/c1-4-39-32(38)31-13-20(26-16-35-28-7-5-21(33)14-24(26)28)12-30(37(31)23-10-18(2)9-19(3)11-23)27-17-36-29-8-6-22(34)15-25(27)29/h5-11,14-17,20,30-31,35-36H,4,12-13H2,1-3H3/t20-,30-,31-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1cc(C)cc(c1)C)c1c[nH]c2c1cc(Br)cc2)c1c[nH]c2c1cc(Br)cc2
InChI Key NYQAUVNBAAORTD-AWRYQFNLSA-N
Molecular Formula C32H31Br2N3O2
Exact Mass 649.415 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NYQAUVNBAAORTD-AWRYQFNLSA-N/NMR/1H/acetone/400
License URL
Source https://www.chemotion-repository.net/inchikey/NYQAUVNBAAORTD-AWRYQFNLSA-N/NMR/1H/acetone/400
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(5-bromo-1H-indol-3-yl)-1-(3,5-dimethylphenyl)piperidine-2-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427459 PubChem
    The data in this table is sourced from UniChem at EBI.