| SpectraBase Compound ID | 53TYPYsL6IY |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-10(8-12(14)15-2)13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3 |
| InChIKey | BNNDKMWWUARZGQ-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b9f29cWJSd |
|---|---|
| Name | .beta.-Alanine,3-methyl-N-benzyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-10(8-12(14)15-2)13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3 |
| InChIKey | BNNDKMWWUARZGQ-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C1=CC=C(C=C1)CNC(C)CC(OC)=O |