![Methyl 2-[N-(2',2'-dimethylpropyl)amino]-3-phenylpropanoate](/api/spectrum/7OeuPyrlCGp/structure.png?h=300&w=458 "Methyl 2-[N-(2',2'-dimethylpropyl)amino]-3-phenylpropanoate")
| SpectraBase Compound ID | 39iVZuzcwLW |
|---|---|
| InChI | InChI=1S/C15H23NO2/c1-15(2,3)11-16-13(14(17)18-4)10-12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3 |
| InChIKey | LKVJQEFHOMWDHP-UHFFFAOYSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OeuPyrlCGp |
|---|---|
| Name | Methyl 2-[N-(2',2'-dimethylpropyl)amino]-3-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.172878983 u |
| Formula | C15H23NO2 |
| InChI | InChI=1S/C15H23NO2/c1-15(2,3)11-16-13(14(17)18-4)10-12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3 |
| InChIKey | LKVJQEFHOMWDHP-UHFFFAOYSA-N |
| Molecular Weight | 249.354 g/mol |
| SMILES | C(C(NCC(C)(C)C)CC1=CC=CC=C1)(=O)OC |