| SpectraBase Compound ID | 2kumsgqZLJt |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-3-12-9(11)8(2)6-4-5-7-10/h4-6H,3H2,1-2H3/b5-4+,8-6+ |
| InChIKey | ORYJGMIMXYLHOJ-DVBIZMGNSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YMjtZQrQTj |
|---|---|
| Name | Ethyl 2-methyl-5-cyanopenta-2,4-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-3-12-9(11)8(2)6-4-5-7-10/h4-6H,3H2,1-2H3/b5-4+,8-6+ |
| InChIKey | ORYJGMIMXYLHOJ-DVBIZMGNSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C(\C(=C\C=C\C#N)C)(=O)OCC |