Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C15H17N5.3CO.BrH.Re/c1-3-4-7-12-10-20(19-18-12)15-11(2)16-13-8-5-6-9-14(13)17-15;3*1-2;;/h5-6,8-10H,3-4,7H2,1-2H3;;;;1H;/q;;;;;+1/p-1
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key DDQBGZVUDRTHAU-UHFFFAOYSA-M
Molecular Formula C18H17BrN5O3Re
Exact Mass 617.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DDQBGZVUDRTHAU-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DDQBGZVUDRTHAU-UHFFFAOYSA-M/CHMO0001146
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • bromorhenium;2-(4-butyltriazol-1-yl)-3-methylquinoxaline;carbon monoxide
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623385 PubChem
    The data in this table is sourced from UniChem at EBI.