| SpectraBase Compound ID | D4wl5dpZiEx |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-9-14(16(19)20-3)17-15(18)13(5-2)12-10-7-6-8-11-12/h6-8,10-11,13-14H,4-5,9H2,1-3H3,(H,17,18) |
| InChIKey | IVCQJUISASSMAN-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 | 1x8ostiBYYT |
|---|---|
| Name | Methyl ester of norvaline .alpha.-phenylbutyramide |
| 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/c1-4-9-14(16(19)20-3)17-15(18)13(5-2)12-10-7-6-8-11-12/h6-8,10-11,13-14H,4-5,9H2,1-3H3,(H,17,18) |
| InChIKey | IVCQJUISASSMAN-UHFFFAOYSA-N |
| SMILES | C(NC(C(=O)OC)CCC)(C(C1=CC=CC=C1)CC)=O |