Dataset
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
Chemical Info
InChI | InChI=1S/C27H23N3O4/c1-15-24(29-25(31)17-10-8-16(14-28)9-11-17)23-21(12-18(33-2)13-22(23)34-3)27(15)20-7-5-4-6-19(20)26(32)30-27/h4-13,15,24H,1-3H3,(H,29,31)(H,30,32)/t15-,24-,27+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(N=C(O)c3ccccc31)[C@H](C)[C@H]2NC(=O)c1ccc(C#N)cc1 |
InChI Key | AFFMHBKGIIMTPE-SOTSVMSQSA-N |
Molecular Formula | C27H23N3O4 |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/AFFMHBKGIIMTPE-SOTSVMSQSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by/4.0 |
Source | |
Version | |
Author | HaĆaczkiewicz, Miro, Maraj, Arianit, Kelm, Harald, Manolikakes, Georg |
Maintainer | chemotion-repository |
Language | en |
MetadataCreated | 2024-01-24T11:58:34.292173 |
MetadataModified | 2024-01-24T11:58:34.292180 |
MetadataPublished |
Field | Value |
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Measurement Technique | |
Measurement Variables |