| SpectraBase Compound ID | 5pA7py5A2JO |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3,(H,18,19)/t15-/m0/s1 |
| InChIKey | TXULKDNWOHVMKN-HNNXBMFYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAI0U0z40XJ |
|---|---|
| Name | L-Phenylalanine, N-cyclohexylcarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3,(H,18,19)/t15-/m0/s1 |
| InChIKey | TXULKDNWOHVMKN-HNNXBMFYSA-N |
| SMILES | C1(CCCCC1)C(N[C@@](CC=1C=CC=CC1)(C(OC)=O)[H])=O |