| SpectraBase Compound ID | 8LCVf3bSZB3 |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-10(14)13-8-7-12(15)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14) |
| InChIKey | WHBJMJBUTZUEFF-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 | 22uMzQbqlFs |
|---|---|
| Name | Benzyl 3-aminopropanoate, N-acetyl- |
| 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/c1-10(14)13-8-7-12(15)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14) |
| InChIKey | WHBJMJBUTZUEFF-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C(NC(C)=O)CC(=O)OCC1=CC=CC=C1 |