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The FTIR pattern supports a broad assignment to a nitrogen-containing aliphatic carbonyl compound rather than a secure identification of the specific library hit. The sample shows a strong carbonyl band near 1690 cm⁻1 together with aliphatic C–H stretches at 2926 and 2866 cm⁻1 and several C–O/C–N region bands at 1273, 1189, and 1152 cm⁻1. Taken together with the Top-15 library pattern, this is most consistent with an amine-containing ester or carbamate-like material, potentially associated with a saturated nitrogen heterocycle. However, the library match quality is effectively non-discriminating, and no direct or related literature evidence independently supports the named top candidate
Recommended next steps: Check the full spectrum for a broad or discrete N–H stretching feature in the 3300–3000 cm⁻1 region to determine whether an amine/ammonium functionality is actually present. Inspect the carbonyl profile carefully to distinguish ester/carbamate versus amide-like character, including whether there are companion bands near 1550–1650 cm⁻1. Acquire complementary Raman, MS, or NMR data if a specific molecular assignment is needed, because the present FTIR search result is too weak for a reliable exact match. If available, rerun the library search after baseline correction and confirmation of peak picking, especially in the 1800–1000 cm⁻1 region where the current assignment is being driven.
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | · | 1690 | 1.00 | - | - | - |
| 2 | · | 1273 | 0.56 | - | - | - |
| 3 | · | 2926 | 0.53 | - | - | - |
| 4 | · | 1152 | 0.45 | - | - | - |
| 5 | · | 1189 | 0.44 | - | - | - |
| 6 | · | 893 | 0.40 | - | - | - |
| 7 | · | 950 | 0.39 | - | - | - |
| 8 | · | 2866 | 0.38 | - | - | - |
| 9 | · | 823 | 0.37 | - | - | - |
| 10 | · | 1458 | 0.35 | - | - | - |
| 11 | · | 1384 | 0.35 | - | - | - |
| 12 | · | 996 | 0.31 | - | - | - |
| 13 | · | 707 | 0.29 | - | - | - |
| 14 | · | 714 | 0.29 | - | - | - |
| 15 | · | 748 | 0.23 | - | - | - |
Use this area to continue the interpretation, ask questions, or add extra verification evidence.
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