FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250423235425107656881-2 Date: 2025-04-24 03:42:44 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Infrared spectrum comparison chart. Analysis result: carbonyl-containing organic material, most consistent with an ester-like aliphatic material rather than the specific top library compound.

The FTIR evidence does not support a firm identification as N-(Phenylmethyl)acetamide, despite that being the nearest library entry. The observed spectrum is better described broadly as a carbonyl-containing organic material with strong aliphatic character and an ester-like C=O/C-O pattern. This broader direction is more chemically supportable than a specific amide or nitrogen-containing assignment

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Top 15 candidates

Reference library candidates

Rank	Match %	Compound Name	Formula / SMILES	Library preview	Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

carbonyl-containing organic material, most consistent with an ester-like aliphatic material rather than the specific top library compound

General assessment

#18552 Initial rank 1 Current rank 1 Library lead match 0.0%

Conclusion

1736 cm-1 supports a carbonyl group in a relatively non-hydrogen-bonded environment.
1255, 1191, and 1098 cm-1 support C-O single-bond stretching expected for ester-like functionality.
2931 and 2862 cm-1 support substantial aliphatic hydrocarbon content.

Main limitation

The proposed library match N-(Phenylmethyl)acetamide would ordinarily require clearer amide features, especially an N-H stretching band near 3300 cm-1 and an amide carbonyl lower than the observed 1736 cm-1 region; these are not supported by the listed peaks.

Evidence

Key evidence

Съвпадение по библиотечен водещ

N-(Phenylmethyl)acetamide #18552 | match 0.0%

Посока на материала

carbonyl-containing organic material, most consistent with an ester-like aliphatic material rather than the specific top library compound The FTIR evidence does not support a firm identification as N-(Phenylmethyl)acetamide, despite that being the nearest library entry. The observed spectrum is better described broadly as a carbonyl-containing organic material with strong aliphatic character and an ester-like C=O/C-O pattern. This broader direction is more chemically supportable than a specific amide or nitrogen-containing assignment.

Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

The FTIR evidence does not support a firm identification as N-(Phenylmethyl)acetamide, despite that being the nearest library entry. The observed spectrum is better described broadly as a carbonyl-containing organic material with strong aliphatic character and an ester-like C=O/C-O pattern. This broader direction is more chemically supportable than a specific amide or nitrogen-containing assignment.
1736 cm-1 supports a carbonyl group in a relatively non-hydrogen-bonded environment.
1255, 1191, and 1098 cm-1 support C-O single-bond stretching expected for ester-like functionality.
2931 and 2862 cm-1 support substantial aliphatic hydrocarbon content.
Multiple ester candidates among the leading library results provide a consistent broad compositional direction toward oxygenated aliphatic organics.
A strong band at 1736 cm-1 is characteristic of a non-conjugated carbonyl and is more typical of an ester than of a simple amide.
Bands at 1255, 1191, and 1098 cm-1 are consistent with C-O stretching, supporting an oxygenated carbonyl functionality such as an ester.
Bands at 2931 and 2862 cm-1 indicate aliphatic C-H stretching from hydrocarbon chains or alkyl groups.
The 1429 and 1334 cm-1 bands are compatible with alkyl bending and fingerprint-region contributions from an oxygenated aliphatic organic material.
The top-15 library pattern includes several long-chain esters and other aliphatic oxygenated compounds, which aligns better with the observed 1736/1255/1191/1098 cm-1 pattern than the nominal top hit does.

Limitations

Evidence that limits the conclusion

The proposed library match N-(Phenylmethyl)acetamide would ordinarily require clearer amide features, especially an N-H stretching band near 3300 cm-1 and an amide carbonyl lower than the observed 1736 cm-1 region; these are not supported by the listed peaks.
No clear aromatic ring pattern is established from the provided peak list, which weakens assignment to a benzyl-substituted amide.
Library similarity values are effectively non-discriminating here, so the ranked hit list by itself is not strong identification evidence.
The present peak list is limited and does not establish whether the sample is a single pure compound, a mixture, or a formulated material.
The low-wavenumber band at 690 cm-1 and the feature at 962 cm-1 are not sufficient on their own to define a narrower structure.
Without direct reference or related-literature confirmation, the safest conclusion remains a broad ester-like carbonyl-containing organic material.

Recommendation

Suggested next verification

Re-examine the full spectrum for a weak or broad N-H/O-H stretching region between about 3200 and 3600 cm-1 to test amide or alcohol involvement.
Inspect the 1600-1500 cm-1 region for aromatic ring bands; their presence or absence would help distinguish benzyl/aromatic compounds from aliphatic esters.
Check for the characteristic ester pair by confirming a strong C=O near 1735 cm-1 together with intense C-O bands across roughly 1300-1000 cm-1.
If available, run GC-MS or LC-MS to determine whether the sample is a long-chain ester, another oxygenated aliphatic compound, or a mixture.

Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	·	2931	1.00	-	-	-	-
2	·	1255	0.41	-	-	-	-
3	·	1736	0.41	-	-	-	-
4	·	1429	0.23	-	-	-	-
5	·	2862	0.21	-	-	-	-
6	·	1191	0.19	-	-	-	-
7	·	1334	0.18	-	-	-	-
8	·	962	0.15	-	-	-	-
9	·	1098	0.14	-	-	-	-
10	·	690	0.10	-	-	-	-

Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Admin от : Seattle, United States

24 Апр '25

The user from Taiwan (IP: 2407::) uploaded a DOCX file containing three IR spectra. Swipe up to view the qualitative analysis of the second spectrum. The user also expressed intent to calculate sample thickness using interference peaks. Here is the original spectrum of the sample extracted from the DOCX

споделяне

This sample appears to be more similar to PVC or its copolymer. Please use the "Spectrum Search" function on this site and enter "PVC" to view the corresponding reference spectrum.

carbonyl-containing organic material, most consistent with an ester-like aliphatic material rather than the specific top library compound

FTIR Spectrum Analysis Report