Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
Chemical Info
InChI | InChI=1S/C28H31BrN6/c1-27(2,3)32-25-23(30-21-11-7-9-13-34(21)25)18-15-19(17-20(29)16-18)24-26(33-28(4,5)6)35-14-10-8-12-22(35)31-24/h7-17,32-33H,1-6H3 |
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SMILES | CC(C)(C)Nc1c(-c2cc(Br)cc(-c3nc4ccccn4c3NC(C)(C)C)c2)nc2ccccn12 |
InChI Key | WYOKKBFRYQMBFS-UHFFFAOYSA-N |
Molecular Formula | C28H31BrN6 |
Exact Mass | 531.502 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/WYOKKBFRYQMBFS-UHFFFAOYSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by/4.0 |
Source | |
Version | |
Author | Stahlberger, Mareen |
Maintainer | chemotion-repository |
Language | en |
MetadataCreated | 2023-10-07T08:58:44.994559 |
MetadataModified | 2023-10-07T08:58:44.994566 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |