**Analysis:** * **1751 cm⁻¹ (m, broad):** Characteristic of C=O stretching vibration. The broadness suggests a carboxylic acid or a highly conjugated/hydrogen-bonded carbonyl. * **2908 cm⁻¹ (w, sharp):** Consistent with C-H stretching vibrations (aliphatic). * **3269 & 3498 cm⁻¹ (w, broad):** Indicative of O-H stretching vibrations. The broad bands and multiple peaks are typical of hydrogen-bonded hydroxyl groups, as in carboxylic acids or alcohols. * **950-1250 cm⁻¹ region (multiple strong/medium peaks):** Complex pattern with strong, broad bands at 995, 1081 cm⁻¹ and sharp peaks at 1028, 1096, 1127 cm⁻¹. This region is characteristic of C-O stretching and O-H bending vibrations, commonly from alcohols, carboxylic acids, and possibly P-O-C or P=O if organophosphorus compounds are present. The strong, broad nature of 995 and 1081 cm⁻¹ is particularly suggestive of P-O-C (alkyl phosphate/phosphonate) or P=O stretching overlapping with C-O stretches. * **1452 cm⁻¹ (m, broad):** Assigned to O-H in-plane bending (carboxylic acid) and/or CH₂/CH₃ bending vibrations. * **1355, 1383 cm⁻¹ (w):** Possible CH₃ symmetric bending or O-H bending. * **1200-1300 cm⁻¹ (weak peaks):** Could involve C-O stretching or P=O stretching if present. * **Below 900 cm⁻¹ (multiple weak peaks):** Fingerprint region; peaks at 754, 804, 863, 910 cm⁻¹ may correspond to out-of-plane O-H bending (carboxylic acid), C-H bending, or P-O stretching/organophosphate skeletal vibrations.
**Conclusions/Inferences:** 1. **Definite Functional Groups:** The spectrum confirms the presence of: * A **carbonyl group (C=O)**, very likely from a **carboxylic acid** (supported by the broad O-H stretch ~3269/3498 cm⁻¹ and O-H bend ~1452 cm⁻¹). * **Hydroxyl groups (O-H)**, extensively hydrogen-bonded. * **Aliphatic C-H groups**. 2. **Primary Component Inference [Speculative]:** The overall spectral profile is highly suggestive of an **organophosphorus compound containing a carboxylic acid group**, such as a phosphonic or phosphinic acid derivative. This is inferred from: * The combination of carboxylic acid signatures (C=O, broad O-H). * The intense, complex absorption pattern in the 950-1250 cm⁻¹ region, which is a hallmark of phosphonate/phosphate esters or acids (P-O-C, P=O, P-OH stretches). The strong, broad bands at ~995 and ~1081 cm⁻¹ are particularly indicative. * The provided, disregarded candidate name was an organophosphorus acid, aligning with this pattern. 3. **Limitation:** The specific structure cannot be determined from IR alone. The multitude of sharp and broad peaks in the fingerprint region indicates a complex molecule, potentially with multiple functional groups or a specific skeletal structure.
This discussion presents an infrared spectral analysis combining
automated interpretation with reference comparison to support
functional group identification and structural assessment.
FTIR Spectrum Interpretation Summary
Comparative Analysis Conclusion
AI-assisted Interpretation Conclusion
**Data:**
Peaks (cm⁻¹, intensity, shape): 672 (w, sharp), 697 (w, sharp), 754 (w, broad), 804 (w, sharp), 863 (w, broad), 910 (w, sharp), 956 (m, sharp), 995 (s, broad), 1014 (m, sharp), 1028 (s, sharp), 1060 (m, sharp), 1081 (s, broad), 1096 (m, sharp), 1127 (m, sharp), 1148 (w, sharp), 1182 (m, broad), 1211 (w, sharp), 1239 (w, sharp), 1310 (w, sharp), 1332 (w, sharp), 1355 (w, broad), 1383 (w, sharp), 1452 (m, broad), 1751 (m, broad), 2908 (w, sharp), 3269 (w, broad), 3498 (w, broad).
**Analysis:**
* **1751 cm⁻¹ (m, broad):** Characteristic of C=O stretching vibration. The broadness suggests a carboxylic acid or a highly conjugated/hydrogen-bonded carbonyl.
* **2908 cm⁻¹ (w, sharp):** Consistent with C-H stretching vibrations (aliphatic).
* **3269 & 3498 cm⁻¹ (w, broad):** Indicative of O-H stretching vibrations. The broad bands and multiple peaks are typical of hydrogen-bonded hydroxyl groups, as in carboxylic acids or alcohols.
* **950-1250 cm⁻¹ region (multiple strong/medium peaks):** Complex pattern with strong, broad bands at 995, 1081 cm⁻¹ and sharp peaks at 1028, 1096, 1127 cm⁻¹. This region is characteristic of C-O stretching and O-H bending vibrations, commonly from alcohols, carboxylic acids, and possibly P-O-C or P=O if organophosphorus compounds are present. The strong, broad nature of 995 and 1081 cm⁻¹ is particularly suggestive of P-O-C (alkyl phosphate/phosphonate) or P=O stretching overlapping with C-O stretches.
* **1452 cm⁻¹ (m, broad):** Assigned to O-H in-plane bending (carboxylic acid) and/or CH₂/CH₃ bending vibrations.
* **1355, 1383 cm⁻¹ (w):** Possible CH₃ symmetric bending or O-H bending.
* **1200-1300 cm⁻¹ (weak peaks):** Could involve C-O stretching or P=O stretching if present.
* **Below 900 cm⁻¹ (multiple weak peaks):** Fingerprint region; peaks at 754, 804, 863, 910 cm⁻¹ may correspond to out-of-plane O-H bending (carboxylic acid), C-H bending, or P-O stretching/organophosphate skeletal vibrations.
**Conclusions/Inferences:**
1. **Definite Functional Groups:** The spectrum confirms the presence of:
* A **carbonyl group (C=O)**, very likely from a **carboxylic acid** (supported by the broad O-H stretch ~3269/3498 cm⁻¹ and O-H bend ~1452 cm⁻¹).
* **Hydroxyl groups (O-H)**, extensively hydrogen-bonded.
* **Aliphatic C-H groups**.
2. **Primary Component Inference [Speculative]:** The overall spectral profile is highly suggestive of an **organophosphorus compound containing a carboxylic acid group**, such as a phosphonic or phosphinic acid derivative. This is inferred from:
* The combination of carboxylic acid signatures (C=O, broad O-H).
* The intense, complex absorption pattern in the 950-1250 cm⁻¹ region, which is a hallmark of phosphonate/phosphate esters or acids (P-O-C, P=O, P-OH stretches). The strong, broad bands at ~995 and ~1081 cm⁻¹ are particularly indicative.
* The provided, disregarded candidate name was an organophosphorus acid, aligning with this pattern.
3. **Limitation:** The specific structure cannot be determined from IR alone. The multitude of sharp and broad peaks in the fingerprint region indicates a complex molecule, potentially with multiple functional groups or a specific skeletal structure.
This discussion presents an infrared spectral analysis combining automated interpretation with reference comparison to support functional group identification and structural assessment.