| SpectraBase Compound ID | I6I8JS1CGOQ |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-4-22-16(20)11-10-15(19)18(17(21)13(2)3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3/b11-10- |
| InChIKey | LZEJFJVZAKWXGE-KHPPLWFESA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SBiA3MdUjE |
|---|---|
| Name | (Z)-Ethyl 4-oxo-4-(N-benzylisobutylamido)but-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-4-22-16(20)11-10-15(19)18(17(21)13(2)3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3/b11-10- |
| InChIKey | LZEJFJVZAKWXGE-KHPPLWFESA-N |
| SMILES | C(N(C(\C=C/C(=O)OCC)=O)CC=1C=CC=CC1)(=O)C(C)C |