| SpectraBase Compound ID | 6aIxqnPA2G3 |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3 |
| InChIKey | IEQWYUJSPBZCTP-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iuak0TgYj1P |
|---|---|
| Name | Benzeneacetic acid, 4-(dimethylamino)-.alpha.-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)9-5-7-10(8-6-9)13(2)3/h5-8H,4H2,1-3H3 |
| InChIKey | IEQWYUJSPBZCTP-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)N(C)C |