![Butanoic acid, 3-[(2-phenylethyl)amino]-, ethyl ester](/api/spectrum/Cr8dbKzVUEh/structure.png?h=300&w=458 "Butanoic acid, 3-[(2-phenylethyl)amino]-, ethyl ester")
| SpectraBase Compound ID | F3LOsODRKB5 |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-3-17-14(16)11-12(2)15-10-9-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3 |
| InChIKey | LYUNHASEWXFFEI-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cr8dbKzVUEh |
|---|---|
| Name | Butanoic acid, 3-[(2-phenylethyl)amino]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-3-17-14(16)11-12(2)15-10-9-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3 |
| InChIKey | LYUNHASEWXFFEI-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C1=CC(CCNC(C)CC(=O)OCC)=CC=C1 |