Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
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 |
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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 |
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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 |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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162623405 | PubChem |
The data in this table is sourced from UniChem at EBI. |