| SpectraBase Compound ID | JnOGLTXwlOb |
|---|---|
| InChI | InChI=1S/C8H11NO4/c1-3-12-8(11)6(2)13-7(10)4-5-9/h6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | NFNAVSNDTJWPSO-LURJTMIESA-N |
| Mol Weight | 185.18 g/mol |
| Molecular Formula | C8H11NO4 |
| Exact Mass | 185.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bA3TZUPT7l |
|---|---|
| Name | 1'(S)-Ethoxycarbonylethyl cyanoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.068807834 u |
| Formula | C8H11NO4 |
| InChI | InChI=1S/C8H11NO4/c1-3-12-8(11)6(2)13-7(10)4-5-9/h6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | NFNAVSNDTJWPSO-LURJTMIESA-N |
| Molecular Weight | 185.179 g/mol |
| SMILES | C(#N)CC(O[C@](C(=O)OCC)(C)[H])=O |