Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DDQBGZVUDRTHAU-UHFFFAOYSA-M/CHMO0000593
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:58:28.078368
MetadataModified 2024-09-07T21:36:50.185053
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables