| SpectraBase Compound ID | 9491z7i1lKO |
|---|---|
| InChI | InChI=1S/C16H14N2O4/c1-9-12(14(19)16(20)21-2)13(10-6-4-3-5-7-10)11(8-17)15(18)22-9/h3-7,13H,18H2,1-2H3 |
| InChIKey | OMDILVWFACCYQK-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C16H14N2O4 |
| Exact Mass | 298.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BafazpXguHO |
|---|---|
| Name | Methyl 2-(6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-yl)-2-oxoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.095356935 u |
| Formula | C16H14N2O4 |
| InChI | InChI=1S/C16H14N2O4/c1-9-12(14(19)16(20)21-2)13(10-6-4-3-5-7-10)11(8-17)15(18)22-9/h3-7,13H,18H2,1-2H3 |
| InChIKey | OMDILVWFACCYQK-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C1=C(OC(=C(C1C1=CC=CC=C1)C#N)N)C)=O |