| SpectraBase Compound ID | GkmdfYflVP7 |
|---|---|
| InChI | InChI=1S/C25H32N2O3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25(21-14-6-5-7-15-21)22(28)26-24(30)27-23(25)29/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3,(H2,26,27,28,29,30) |
| InChIKey | WXEYDVCCGILMHU-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C25H32N2O3 |
| Exact Mass | 408.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmXZI8Q5Q90 |
|---|---|
| Name | 5-Phenyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.241292895 u |
| Formula | C25H32N2O3 |
| InChI | InChI=1S/C25H32N2O3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25(21-14-6-5-7-15-21)22(28)26-24(30)27-23(25)29/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3,(H2,26,27,28,29,30) |
| InChIKey | WXEYDVCCGILMHU-UHFFFAOYSA-N |
| Molecular Weight | 408.542 g/mol |
| SMILES | N1C(NC(C(C1=O)(C1=CC=CC=C1)CC=C(CCC=C(C)CCC=C(C)C)C)=O)=O |