Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C20H19N5.3CO.BrH.Re/c1-2-3-11-16-14-25(24-23-16)20-19(15-9-5-4-6-10-15)21-17-12-7-8-13-18(17)22-20;3*1-2;;/h4-10,12-14H,2-3,11H2,1H3;;;;1H;/q;;;;;+1/p-1
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key BKFBOTQHKAJKOY-UHFFFAOYSA-M
Molecular Formula C23H19BrN5O3Re
Exact Mass 679.540 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BKFBOTQHKAJKOY-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BKFBOTQHKAJKOY-UHFFFAOYSA-M/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:57:09.492606
MetadataModified 2024-09-07T21:35:10.340069
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
162623405 PubChem
The data in this table is sourced from UniChem at EBI.