Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
Chemical Info
InChI | InChI=1S/C14H12BrN5O2/c1-22-14(21)12-9-20(18-16-12)13-6-7-19(17-13)8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3 |
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SMILES | COC(=O)c1cn(-c2ccn(Cc3ccc(Br)cc3)n2)nn1 |
InChI Key | CNHRLRYEDLASIW-UHFFFAOYSA-N |
Molecular Formula | C14H12BrN5O2 |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/CNHRLRYEDLASIW-UHFFFAOYSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | |
Version | |
Author | Gräßle, Simone, Wippert, Nicolai |
Maintainer | chemotion-repository |
Language | en |
MetadataCreated | 2024-02-18T03:19:24.675321 |
MetadataModified | 2024-02-18T03:19:24.675325 |
MetadataPublished |
Field | Value |
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Measurement Technique | |
Measurement Variables |