Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H20N6.3CO.BrH.Re/c1-3-21(4-2)10-9-13-12-22(20-19-13)16-11-17-14-7-5-6-8-15(14)18-16;3*1-2;;/h5-8,11-12H,3-4,9-10H2,1-2H3;;;;1H;/q;;;;;+1/p-1
SMILES CCN(CCc1nnn(c1)c1cnc2c(n1)cccc2)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key LHPVGPJSNAKQBR-UHFFFAOYSA-M
Molecular Formula C19H20BrN6O3Re
Exact Mass 646.512 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHPVGPJSNAKQBR-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LHPVGPJSNAKQBR-UHFFFAOYSA-M/CHMO0000595
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • bromorhenium;carbon monoxide;N,N-diethyl-2-(1-quinoxalin-2-yltriazol-4-yl)ethanamine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623396 PubChem
    The data in this table is sourced from UniChem at EBI.