| SpectraBase Compound ID | 4je8EicAXhA |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-8-4-6-10(7-5-8)11(14)13-9(2)12(15)16-3/h4-7,9H,1-3H3,(H,13,14) |
| InChIKey | CTLUSWRBHZCLEM-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 | 6eZddsx0xix |
|---|---|
| Name | L-Alanine, N-(p-toluoyl)-, methyl 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/c1-8-4-6-10(7-5-8)11(14)13-9(2)12(15)16-3/h4-7,9H,1-3H3,(H,13,14) |
| InChIKey | CTLUSWRBHZCLEM-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C(C(OC)=O)(C)NC(C1=CC=C(C)C=C1)=O |