![Benzoic acid, 4-[methyl(3-oxo-3-phenylpropyl)amino]-, methyl ester](/api/spectrum/5Br6ciXmE1B/structure.png?h=300&w=458 "Benzoic acid, 4-[methyl(3-oxo-3-phenylpropyl)amino]-, methyl ester")
| SpectraBase Compound ID | 696zHKyUmmJ |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-19(13-12-17(20)14-6-4-3-5-7-14)16-10-8-15(9-11-16)18(21)22-2/h3-11H,12-13H2,1-2H3 |
| InChIKey | XGWVZKJZYOIGAG-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 | 5Br6ciXmE1B |
|---|---|
| Name | Benzoic acid, 4-[methyl(3-oxo-3-phenylpropyl)amino]-, 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/c1-19(13-12-17(20)14-6-4-3-5-7-14)16-10-8-15(9-11-16)18(21)22-2/h3-11H,12-13H2,1-2H3 |
| InChIKey | XGWVZKJZYOIGAG-UHFFFAOYSA-N |
| Molecular Weight | 297.354 g/mol |
| SMILES | C(C=1C=CC(N(CCC(=O)C=2C=CC=CC2)C)=CC1)(=O)OC |