| SpectraBase Compound ID | IKpxUNld9ki |
|---|---|
| InChI | InChI=1S/C12H13NO3/c1-8-3-5-10(6-4-8)7-11(12(15)16)13-9(2)14/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-7+ |
| InChIKey | XLKTTWGSTMQVIL-YRNVUSSQSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DaljnbJWpf |
|---|---|
| Name | 2-Acetamido-3-(4-methylphenyl)prop-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c1-8-3-5-10(6-4-8)7-11(12(15)16)13-9(2)14/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-7+ |
| InChIKey | XLKTTWGSTMQVIL-YRNVUSSQSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | CC1=CC=C(\C=C/(NC(C)=O)C(O)=O)C=C1 |