| SpectraBase Compound ID | JQVDDJGnmfv |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | YIVZYFDBEPMPNL-LBPRGKRZSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NfQ1DGh4QX |
|---|---|
| Name | N-Acetyl-L-phenylalanine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | YIVZYFDBEPMPNL-LBPRGKRZSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | CCOC(=O)[C@@](NC(=O)C)(CC1=CC=CC=C1)[H] |