![Ethyl 3-[N-1-phenylethyl]amino-4,4-dimethyl-2-pentenoate](/api/spectrum/KIMU4ot73UH/structure.png?h=300&w=458 "Ethyl 3-[N-1-phenylethyl]amino-4,4-dimethyl-2-pentenoate")
| SpectraBase Compound ID | 1cPBmv3BbYc |
|---|---|
| InChI | InChI=1S/C17H25NO2/c1-6-20-16(19)12-15(17(3,4)5)18-13(2)14-10-8-7-9-11-14/h7-13,18H,6H2,1-5H3/b15-12- |
| InChIKey | ACWRSNQABFXPLI-QINSGFPZSA-N |
| Mol Weight | 275.39 g/mol |
| Molecular Formula | C17H25NO2 |
| Exact Mass | 275.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIMU4ot73UH |
|---|---|
| Name | Ethyl 3-[N-1-phenylethyl]amino-4,4-dimethyl-2-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.188529047 u |
| Formula | C17H25NO2 |
| InChI | InChI=1S/C17H25NO2/c1-6-20-16(19)12-15(17(3,4)5)18-13(2)14-10-8-7-9-11-14/h7-13,18H,6H2,1-5H3/b15-12- |
| InChIKey | ACWRSNQABFXPLI-QINSGFPZSA-N |
| Molecular Weight | 275.392 g/mol |
| SMILES | C(\C=C\(NC(C=1C=CC=CC1)C)C(C)(C)C)(=O)OCC |