| SpectraBase Compound ID | Kqq2X7b0qW7 |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-5-12-9(11)6-8(4)10-7(2)3/h6-7,10H,5H2,1-4H3/b8-6+ |
| InChIKey | PLEQGUAJRFFANU-SOFGYWHQSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kgVygfLdpM |
|---|---|
| Name | Ethyl 3-(N-isopropyl)amino-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-5-12-9(11)6-8(4)10-7(2)3/h6-7,10H,5H2,1-4H3/b8-6+ |
| InChIKey | PLEQGUAJRFFANU-SOFGYWHQSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C(N\C(=C\C(=O)OCC)C)(C)C |