Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
Chemical Info
InChI | InChI=1S/C22H18N6O2/c1-15-3-5-16(6-4-15)12-27-13-19(11-23)21(25-27)28-14-20(24-26-28)17-7-9-18(10-8-17)22(29)30-2/h3-10,13-14H,12H2,1-2H3 |
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SMILES | COC(=O)c1ccc(-c2cn(-c3nn(Cc4ccc(C)cc4)cc3C#N)nn2)cc1 |
InChI Key | DMRAVMAMSLYEBQ-UHFFFAOYSA-N |
Molecular Formula | C22H18N6O2 |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/DMRAVMAMSLYEBQ-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 | 2024-02-18T03:51:54.712387 |
MetadataModified | 2024-02-18T03:51:54.712392 |
MetadataPublished |
Field | Value |
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Measurement Technique | |
Measurement Variables |