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| Rank | Match % | Compound Name | Formula / SMILES | Library preview | Action |
|---|---|---|---|---|---|
| Reference candidates load with this Top-15 workbench. | |||||
The sample's IR spectrum shows a prominent Si–O stretch near 1015 cm⁻¹ and lower-wavenumber bands that align with the sulfate/silicate library direction. However, a strong aliphatic C–H stretch at 2930 cm⁻¹ is absent from all top-15 library candidates, which are exclusively inorganic aluminosilicates or sulfates. This conflict prevents a firm identification. Suggested next step: Consider attenuated total reflectance (ATR) to confirm surface composition and rule out organic contamination. If organic is integral, perform additional analysis (e.g., TGA–IR, Raman) to characterize the C–H component and search against a broader organosilicon library. Explore spectral subtraction of the inorganic contribution to isolate the organic spectrum for separate library interrogation.
★ = Literature-supported peak assignment.
| Index | Characteristic | Wavenumber | Absorbance | Interpretation | Citation | Confidence |
|---|---|---|---|---|---|---|
| 1 | ★ | 1015 | 0.59 | The band at 1015 cm-1 is assigned to siloxane. | [2] | High confidence |
| 2 | ★ | 693 | 0.16 | The band at 693 cm-1 is assigned to silicon oxygen. | [1] | High confidence |
| 3 | ★ | 1570 | 0.10 | The band at 1570 cm-1 is assigned to asymmetric stretching vibrations of the C-O bond of carboxylate. | [6], [7] | Moderate confidence |
| 4 | ★ | 1332 | 0.09 | The band at 1332 cm-1 is assigned to S=O asymmetric. | [4] | Moderate confidence |
| 5 | · | 617 | 0.09 | - | - | - |
| 6 | ★ | 1383 | 0.07 | The band at 1383 cm-1 is assigned to bending. | [5] | Moderate confidence |
| 7 | · | 1994 | 0.07 | - | - | - |
| 8 | ★ | 2930 | 0.04 | The band at 2930 cm-1 is assigned to aliphatic fuel formers. | [8] | High confidence |
| 9 | ★ | 1196 | 0.03 | The band at 1196 cm-1 is assigned to phenol C-O. | [3] | Moderate confidence |
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