![2-methyl-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]propanamide](/api/spectrum/AwMUg4euuqX/structure.png?h=300&w=458 "2-methyl-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]propanamide")
| SpectraBase Compound ID | FREICKkG4q4 |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c1-11(2)16(21)19-13-9-7-12(8-10-13)17-20-15-6-4-3-5-14(15)18(22)23-17/h3-11H,1-2H3,(H,19,21) |
| InChIKey | CEYYMKAFNNDWMD-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwMUg4euuqX |
|---|---|
| Name | 2-Methyl-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c1-11(2)16(21)19-13-9-7-12(8-10-13)17-20-15-6-4-3-5-14(15)18(22)23-17/h3-11H,1-2H3,(H,19,21) |
| InChIKey | CEYYMKAFNNDWMD-UHFFFAOYSA-N |
| SMILES | N(C(=O)C(C)C)C1=CC=C(C2=NC3=CC=CC=C3C(O2)=O)C=C1 |