| SpectraBase Compound ID | 9nkeXPhOO1M |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-13-8-10-14(11-9-13)12-16(18(21)22-2)19-17(20)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey | VHUBPUGUQNKUOV-UHFFFAOYSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HYJBpUzxCO |
|---|---|
| Name | 2-Benzamido-3-(4-methylphenyl)propanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-13-8-10-14(11-9-13)12-16(18(21)22-2)19-17(20)15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey | VHUBPUGUQNKUOV-UHFFFAOYSA-N |
| Molecular Weight | 297.354 g/mol |
| SMILES | C(NC(C(=O)OC)CC1=CC=C(C=C1)C)(=O)C1=CC=CC=C1 |