| SpectraBase Compound ID | 12ZWlwO9eAm |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,19,21) |
| InChIKey | NWNIQOGGZJDKPQ-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbuOE4zaRz6 |
|---|---|
| Name | L-Phenylalanine, N-propoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,19,21) |
| InChIKey | NWNIQOGGZJDKPQ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |