![2-Propenoic acid, 2-methyl-, 2-[(2-cyanoacetyl)oxy]ethyl ester](/api/spectrum/16vDn22fQQZ/structure.png?h=300&w=458 "2-Propenoic acid, 2-methyl-, 2-[(2-cyanoacetyl)oxy]ethyl ester")
| SpectraBase Compound ID | 8AIWqdqv7hS |
|---|---|
| InChI | InChI=1S/C9H11NO4/c1-7(2)9(12)14-6-5-13-8(11)3-4-10/h1,3,5-6H2,2H3 |
| InChIKey | BCQHHYHGZQLDLH-UHFFFAOYSA-N |
| Mol Weight | 197.19 g/mol |
| Molecular Formula | C9H11NO4 |
| Exact Mass | 197.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16vDn22fQQZ |
|---|---|
| Name | 2-Propenoic acid, 2-methyl-, 2-[(2-cyanoacetyl)oxy]ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.068807834 u |
| Formula | C9H11NO4 |
| InChI | InChI=1S/C9H11NO4/c1-7(2)9(12)14-6-5-13-8(11)3-4-10/h1,3,5-6H2,2H3 |
| InChIKey | BCQHHYHGZQLDLH-UHFFFAOYSA-N |
| Molecular Weight | 197.190 g/mol |
| SMILES | CC(=C)C(=O)OCCOC(=O)CC#N |