| SpectraBase Compound ID | I78rtxTioVP |
|---|---|
| InChI | InChI=1S/C15H14N4O4/c1-22-14-13(19(20)21)12(17-15(18-14)23-2)11(9-16)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3 |
| InChIKey | XIEWZKSKZANWRF-UHFFFAOYSA-N |
| Mol Weight | 314.3 g/mol |
| Molecular Formula | C15H14N4O4 |
| Exact Mass | 314.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RanvnIX4rz |
|---|---|
| Name | 2-(2,6-Dimethoxy-5-nitro-4-pyrimidinyl)-3-phenylpropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.101504943 u |
| Formula | C15H14N4O4 |
| InChI | InChI=1S/C15H14N4O4/c1-22-14-13(19(20)21)12(17-15(18-14)23-2)11(9-16)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3 |
| InChIKey | XIEWZKSKZANWRF-UHFFFAOYSA-N |
| Molecular Weight | 314.301 g/mol |
| SMILES | C1(=C(N=C(N=C1OC)OC)C(C#N)CC=1C=CC=CC1)N(=O)=O |