Dataset
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
Chemical Info
InChI | InChI=1S/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)Cc1ccccc1)C |
InChI Key | AZLXCNAIXUPYSM-BHLWPZGCSA-N |
Molecular Formula | C27H26N2O4 |
Exact Mass | 442.506 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000763 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000763 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:11:25.467184 |
MetadataModified | 2024-09-08T02:11:25.467189 |
MetadataPublished | 2023-12-15 |
Field | Value |
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Measurement Technique | attenuated total reflectance Fourier transform infrared spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169452741 | PubChem |
The data in this table is sourced from UniChem at EBI. |