| SpectraBase Compound ID | EEkwfGE5JZ6 |
|---|---|
| InChI | InChI=1S/C11H16N2O2/c1-4-15-11(14)5-10(8(2)3)9(6-12)7-13/h8-10H,4-5H2,1-3H3 |
| InChIKey | UCZIEPDZLTUPRK-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C11H16N2O2 |
| Exact Mass | 208.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FbzkdDIW8cq |
|---|---|
| Name | Ethyl 4,4-dicyano-3-isopropylbutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.121177761 u |
| Formula | C11H16N2O2 |
| InChI | InChI=1S/C11H16N2O2/c1-4-15-11(14)5-10(8(2)3)9(6-12)7-13/h8-10H,4-5H2,1-3H3 |
| InChIKey | UCZIEPDZLTUPRK-UHFFFAOYSA-N |
| Molecular Weight | 208.261 g/mol |
| SMILES | C(#N)C(C(CC(=O)OCC)C(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830096 |