![Ethyl[1]staffane-1-acetate](/api/spectrum/JqSotZmvE2Y/structure.png?h=300&w=458 "Ethyl[1]staffane-1-acetate")
| SpectraBase Compound ID | 3KozqBYm0Nd |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-2-11-8(10)6-9-3-7(4-9)5-9/h7H,2-6H2,1H3 |
| InChIKey | NIJMKECHEJRGBO-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JqSotZmvE2Y |
|---|---|
| Name | Ethyl[1]staffane-1-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-2-11-8(10)6-9-3-7(4-9)5-9/h7H,2-6H2,1H3 |
| InChIKey | NIJMKECHEJRGBO-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C12(CC(=O)OCC)CC(C2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980582 |