| SpectraBase Compound ID | 4vYq8mAkfoh |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-3-15-13(14(16)17-4-2)11-10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3 |
| InChIKey | GDQLNGARBOMEDV-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifbb9JSEeUd |
|---|---|
| Name | L-Homophenylalanine, N-ethyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-3-15-13(14(16)17-4-2)11-10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3 |
| InChIKey | GDQLNGARBOMEDV-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(NCC)C(=O)OCC |