| SpectraBase Compound ID | 20aMDnV9ZAZ |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-4-17-12(16)11(15)13-9-5-7-10(8-6-9)14(2)3/h5-8H,4H2,1-3H3,(H,13,15) |
| InChIKey | XRTFATLKBTZWRI-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZhgRJ2cj1R |
|---|---|
| Name | Acetic acid, 2-(4-dimethylaminophenyl)-2-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-4-17-12(16)11(15)13-9-5-7-10(8-6-9)14(2)3/h5-8H,4H2,1-3H3,(H,13,15) |
| InChIKey | XRTFATLKBTZWRI-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(C(=O)OCC)(NC=1C=CC(=CC1)N(C)C)=O |