| SpectraBase Compound ID | HtlRyTsu3K9 |
|---|---|
| InChI | InChI=1S/C12H19NO3/c1-5-16-12(15)11(13-10(4)14)8-6-7-9(2)3/h6-7,11H,2,5,8H2,1,3-4H3,(H,13,14)/b7-6+ |
| InChIKey | YNHHDXYCLQAYTG-VOTSOKGWSA-N |
| Mol Weight | 225.29 g/mol |
| Molecular Formula | C12H19NO3 |
| Exact Mass | 225.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCO65mJLo89 |
|---|---|
| Name | Ethyl (E)-2-acetamido-6-methylhepta-4,6-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.136493473 u |
| Formula | C12H19NO3 |
| InChI | InChI=1S/C12H19NO3/c1-5-16-12(15)11(13-10(4)14)8-6-7-9(2)3/h6-7,11H,2,5,8H2,1,3-4H3,(H,13,14)/b7-6+ |
| InChIKey | YNHHDXYCLQAYTG-VOTSOKGWSA-N |
| Molecular Weight | 225.288 g/mol |
| SMILES | C(C(NC(=O)C)C\C=C\C(=C)C)(=O)OCC |