Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR) (bromorhenium;carbon monoxide;N,N-diethyl-2-(1-quinoxalin-2-yltriazol-4-yl)ethanamine)
Chemical Info
InChI | InChI=1S/C16H20N6.3CO.BrH.Re/c1-3-21(4-2)10-9-13-12-22(20-19-13)16-11-17-14-7-5-6-8-15(14)18-16;3*1-2;;/h5-8,11-12H,3-4,9-10H2,1-2H3;;;;1H;/q;;;;;+1/p-1 |
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SMILES | CCN(CC)CCc1cn(-c2cnc3ccccc3n2)nn1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+] |
InChI Key | LHPVGPJSNAKQBR-UHFFFAOYSA-M |
Molecular Formula | C19H20BrN6O3Re |
Exact Mass | 646.519 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/LHPVGPJSNAKQBR-UHFFFAOYSA-M.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | |
Version | |
Author | Holzhauer, Laura, Fuhr, Olaf |
Maintainer | chemotion.net |
Language | en |
MetadataCreated | 2022-10-06T14:35:00.610267 |
MetadataModified | 2022-10-06T14:35:00.610272 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |