| SpectraBase Compound ID | 3LGxZJAUMEx |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-12(2)9-10-15(18)17-14(16(19)20-3)11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,18) |
| InChIKey | HQCQUPLMEDOAGH-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kAGMIlH6se |
|---|---|
| Name | N-(4-Methylpentanoyl)phenylalanine, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-12(2)9-10-15(18)17-14(16(19)20-3)11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,18) |
| InChIKey | HQCQUPLMEDOAGH-UHFFFAOYSA-N |
| SMILES | C(C(NC(CCC(C)C)=O)CC1=CC=CC=C1)(=O)OC |