| SpectraBase Compound ID | 49ITU33raV7 |
|---|---|
| InChI | InChI=1S/C16H25NO2/c1-5-15(12(3)16(18)19-6-2)17-13(4)14-10-8-7-9-11-14/h7-13,15,17H,5-6H2,1-4H3 |
| InChIKey | MDDDRALMGQCGNI-UHFFFAOYSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C16H25NO2 |
| Exact Mass | 263.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADNZwwckdhs |
|---|---|
| Name | 2-Methyl-3-(1-phenyl-ethylamino)-pentanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.188529047 u |
| Formula | C16H25NO2 |
| InChI | InChI=1S/C16H25NO2/c1-5-15(12(3)16(18)19-6-2)17-13(4)14-10-8-7-9-11-14/h7-13,15,17H,5-6H2,1-4H3 |
| InChIKey | MDDDRALMGQCGNI-UHFFFAOYSA-N |
| Molecular Weight | 263.381 g/mol |
| SMILES | N(C(C(C(=O)OCC)C)CC)C(C)c1ccccc1 |