| SpectraBase Compound ID | KOIcEYybYCg |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-11(2)20-14(18)16-15(3,13(17)19-4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18) |
| InChIKey | HAOMRILUTOTQPV-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Coa87Locne |
|---|---|
| Name | .alpha.-Methyl-dl-phenylalanine, N-(isopropyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-11(2)20-14(18)16-15(3,13(17)19-4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18) |
| InChIKey | HAOMRILUTOTQPV-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C)(NC(OC(C)C)=O)C(=O)OC |