![5-[[[(E)-octadec-9-enyl]amino]methylene]barbituric acid](/api/spectrum/KXn7pI8QPCw/structure.png?h=300&w=458 "5-[[[(E)-octadec-9-enyl]amino]methylene]barbituric acid")
| SpectraBase Compound ID | FO4b6DoTbkQ |
|---|---|
| InChI | InChI=1S/C23H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-21(27)25-23(29)26-22(20)28/h9-10,19,24H,2-8,11-18H2,1H3,(H2,25,26,27,28,29)/b10-9+ |
| InChIKey | BQUBOXDVRWHMAP-MDZDMXLPSA-N |
| Mol Weight | 405.6 g/mol |
| Molecular Formula | C23H39N3O3 |
| Exact Mass | 405.299142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXn7pI8QPCw |
|---|---|
| Name | 5-[[[(E)-octadec-9-enyl]amino]methylene]barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.299142125 u |
| Formula | C23H39N3O3 |
| InChI | InChI=1S/C23H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-21(27)25-23(29)26-22(20)28/h9-10,19,24H,2-8,11-18H2,1H3,(H2,25,26,27,28,29)/b10-9+ |
| InChIKey | BQUBOXDVRWHMAP-MDZDMXLPSA-N |
| Molecular Weight | 405.583 g/mol |
| SMILES | C1(C(NC(NC1=O)=O)=O)=CNCCCCCCCC\C=C\CCCCCCCC |