| SpectraBase Compound ID | 5MfDDA59efD |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9(13-10(2)12(14)15)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15) |
| InChIKey | ICQTUHYRPCOLGM-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 | HQwUq8XnSQg |
|---|---|
| Name | dl-N-(alpha-Methylphenethyl)alanine |
| 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/c1-9(13-10(2)12(14)15)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15) |
| InChIKey | ICQTUHYRPCOLGM-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | N(C(CC=1C=CC=CC1)C)C(C(O)=O)C |