| SpectraBase Compound ID | 67JbfxXUapY |
|---|---|
| InChI | InChI=1S/C16H23NO2/c1-13(2)8-7-11-17-15(16(18)19-3)12-14-9-5-4-6-10-14/h4-6,8-10,15,17H,7,11-12H2,1-3H3/t15-/m0/s1 |
| InChIKey | ZKSFVLXEWYZFID-HNNXBMFYSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C16H23NO2 |
| Exact Mass | 261.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5vahR7dnMs |
|---|---|
| Name | (S)-N-(4-Methyl-3-pentenyl)phenylalanine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.172878983 u |
| Formula | C16H23NO2 |
| InChI | InChI=1S/C16H23NO2/c1-13(2)8-7-11-17-15(16(18)19-3)12-14-9-5-4-6-10-14/h4-6,8-10,15,17H,7,11-12H2,1-3H3/t15-/m0/s1 |
| InChIKey | ZKSFVLXEWYZFID-HNNXBMFYSA-N |
| Molecular Weight | 261.365 g/mol |
| SMILES | C([C@](CC1=CC=CC=C1)(NCCC=C(C)C)[H])(=O)OC |