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/C20H24N6.3CO.BrH.Re/c1-3-5-9-15-14-25(24-23-15)20-19-21-13-16(10-6-4-2)26(19)18-12-8-7-11-17(18)22-20;3*1-2;;/h7-8,11-14H,3-6,9-10H2,1-2H3;;;;1H;/q;;;;;+1/p-1
SMILES CCCCc1nnn(c1)c1nc2ccccc2n2c1ncc2CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key IYHBIYUJPQGBCO-UHFFFAOYSA-M
Molecular Formula C23H24BrN6O3Re
Exact Mass 698.586 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYHBIYUJPQGBCO-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/IYHBIYUJPQGBCO-UHFFFAOYSA-M/CHMO0001146
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:01:28.608966
MetadataModified 2024-09-07T21:40:42.072937
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
162623391 PubChem
The data in this table is sourced from UniChem at EBI.