Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
Chemical Info
InChI | InChI=1S/C42H38N6O2/c1-41(2,3)45-39-35(43-32-18-9-11-22-47(32)39)29-16-13-17-30(36-40(46-42(4,5)6)48-23-12-10-19-33(48)44-36)34(29)25-20-21-28-31(24-25)38(50)27-15-8-7-14-26(27)37(28)49/h7-24,45-46H,1-6H3 |
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SMILES | CC(C)(C)Nc1c(-c2cccc(-c3nc4ccccn4c3NC(C)(C)C)c2-c2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccn12 |
InChI Key | VLUUBVCNQAEJDL-UHFFFAOYSA-N |
Molecular Formula | C42H38N6O2 |
Exact Mass | 658.806 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/VLUUBVCNQAEJDL-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 | 2023-10-07T08:59:05.681233 |
MetadataModified | 2023-10-07T08:59:05.681241 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |