| SpectraBase Compound ID | Dou3XsbFxeY |
|---|---|
| InChI | InChI=1S/C19H21NO3/c1-14(20-18(21)16-11-7-4-8-12-16)17(19(22)23-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,20,21) |
| InChIKey | GCLKVYYQWHCCBC-UHFFFAOYSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PyJvsSgYm4 |
|---|---|
| Name | 3-Benzoylamino-2-benzyl-butyric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.152143537 u |
| Formula | C19H21NO3 |
| InChI | InChI=1S/C19H21NO3/c1-14(20-18(21)16-11-7-4-8-12-16)17(19(22)23-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,20,21) |
| InChIKey | GCLKVYYQWHCCBC-UHFFFAOYSA-N |
| Molecular Weight | 311.381 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)NC(C)C(C(=O)OC)CC1=CC=CC=C1 |