![Benzoic acid, 2-[(2-phenylethyl)amino]-, methyl ester](/api/spectrum/487uAdib876/structure.png?h=300&w=458 "Benzoic acid, 2-[(2-phenylethyl)amino]-, methyl ester")
| SpectraBase Compound ID | 5MnMFQjXLYG |
|---|---|
| InChI | InChI=1S/C16H17NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3 |
| InChIKey | UOPJDOBXPSMNDI-UHFFFAOYSA-N |
| Mol Weight | 255.32 g/mol |
| Molecular Formula | C16H17NO2 |
| Exact Mass | 255.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 487uAdib876 |
|---|---|
| Name | Benzoic acid, 2-[(2-phenylethyl)amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.125928789 u |
| Formula | C16H17NO2 |
| InChI | InChI=1S/C16H17NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3 |
| InChIKey | UOPJDOBXPSMNDI-UHFFFAOYSA-N |
| Molecular Weight | 255.317 g/mol |
| SMILES | N(C1=C(C=CC=C1)C(OC)=O)CCC1=CC=CC=C1 |