FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250505143412888309899 Date: 2025-05-06 01:09:14 Reported by: FTIR.fun Contact: [email protected]

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Infrared spectrum comparison chart. Analysis result: methyl-substituted heteroatom-containing organic material with C-O and possible N-H functionality.

The FTIR evidence does not support a firm identification of the sample as 4-methylbenzene-1,3-diamine. The library search is effectively non-matching, with all leading candidates reported at zero similarity, and no direct or related literature narrows the assignment. The observed bands are more consistent with a broad methyl-substituted heteroatom-containing organic material showing C-O absorption and possible N-H functionality than with a specific named compound

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Top 15 candidates

Reference library candidates

Rank	Match %	Compound Name	Formula / SMILES	Library preview	Action
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Based on the library matches and evidence above.

Conclusion

methyl-substituted heteroatom-containing organic material with C-O and possible N-H functionality

General assessment

#69466 Initial rank 1 Current rank 1 Library lead match 0.0%

Conclusion

The sample contains a 2927 cm-1 band consistent with aliphatic C-H stretching, supporting methyl or other alkyl substitution.
Bands at 1226 and 1057 cm-1 support the presence of C-O or related heteroatom-linked single-bond stretching.
The 3277 cm-1 absorption is compatible with N-H and/or O-H stretching, so heteroatom-containing functionality is plausible.

Main limitation

The top library hit, 4-methylbenzene-1,3-diamine, is not supported by a meaningful spectral match because the reported similarity is 0.000.

Evidence

Key evidence

資料庫主要匹配

4-methylbenzene-1,3-diamine #69466 | match 0.0%

材料方向

methyl-substituted heteroatom-containing organic material with C-O and possible N-H functionality The FTIR evidence does not support a firm identification of the sample as 4-methylbenzene-1,3-diamine. The library search is effectively non-matching, with all leading candidates reported at zero similarity, and no direct or related literature narrows the assignment. The observed bands are more consistent with a broad methyl-substituted heteroatom-containing organic material showing C-O absorption and possible N-H functionality than with a specific named compound.

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 of the sample as 4-methylbenzene-1,3-diamine. The library search is effectively non-matching, with all leading candidates reported at zero similarity, and no direct or related literature narrows the assignment. The observed bands are more consistent with a broad methyl-substituted heteroatom-containing organic material showing C-O absorption and possible N-H functionality than with a specific named compound.
The sample contains a 2927 cm-1 band consistent with aliphatic C-H stretching, supporting methyl or other alkyl substitution.
Bands at 1226 and 1057 cm-1 support the presence of C-O or related heteroatom-linked single-bond stretching.
The 3277 cm-1 absorption is compatible with N-H and/or O-H stretching, so heteroatom-containing functionality is plausible.
The library consensus direction reported in the search packet points broadly toward methyl / oxygen heterocycle chemistry, which is more consistent with the observed C-O region than a specific aromatic diamine claim.
Observed absorptions at 3277 and 1632 cm-1 are compatible with N-H/O-H stretching and a bending or unsaturated-ring region feature, but they are not specific enough on their own for a unique assignment.
Bands at 1226 and 1057 cm-1 support C-O single-bond or related heteroatom-containing stretching, which aligns better with a broad oxygen-containing organic direction than with a narrowly defined aromatic diamine alone.
The 2927 cm-1 band supports aliphatic C-H stretching, consistent with methyl substitution.
The 1528 cm-1 feature may arise from aromatic ring vibrations or N-H deformation, but without corroborating reference evidence it cannot securely distinguish among aromatic amines, oxygenated ring systems, or other heteroatom-containing organics.
The Top-15 library pattern includes mixed candidates spanning aromatic amines, oxygen-containing ring systems, carbonyl compounds, nitro compounds, and polyamides, indicating weak and chemically inconsistent retrieval rather than a coherent single-material match.

Limitations

Evidence that limits the conclusion

The top library hit, 4-methylbenzene-1,3-diamine, is not supported by a meaningful spectral match because the reported similarity is 0.000.
The observed peak set does not provide clear identifying aromatic amine evidence sufficient to justify a specific diamine assignment.
The Top-15 candidates are chemically diverse and include mutually inconsistent classes, which limits confidence in any narrow material conclusion.
It remains uncertain whether the 3277 cm-1 band is dominated by N-H, O-H, or mixed hydrogen-bonded absorption.
The current peak list is too sparse to distinguish reliably among aromatic amine, oxygen heterocycle, amide-containing, or other heteroatom-bearing organic materials.
Because no literature-backed reference match was recovered, the present conclusion should be treated as a broad material direction rather than a specific compound identification.

Recommendation

Suggested next verification

Reacquire the FTIR spectrum with full peak intensities and band shapes, especially in the 1800-600 cm-1 fingerprint region, to test whether the 1226/1057 cm-1 pair reflects ether, cyclic acetal, or other C-O functionality.
Inspect the 3500-3000 cm-1 region at higher quality to determine whether the 3277 cm-1 band is a sharp amine-type N-H feature or a broader O-H band.
Check for additional aromatic ring bands near 1600, 1500, 830-700 cm-1 to assess whether a methyl-substituted aromatic amine remains plausible.
If available, confirm with complementary Raman, GC-MS, or NMR analysis to distinguish an oxygen-containing ring system from an aromatic amine or other heteroatom-containing organic component.

Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	·	1632	1.00	-	-	-	-
2	·	1528	0.51	-	-	-	-
3	·	1057	0.32	-	-	-	-
4	·	1226	0.18	-	-	-	-
5	·	3277	0.11	-	-	-	-
6	·	2927	0.11	-	-	-	-

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 來自 : Seattle, United States

6 五月 '25

The above shows the FTIR analysis results of a png file uploaded by a user (IP: 192.XX.XX.253). The original image is displayed below. 1 - 副本.png Switch result modes to compare curve similarity, characteristic peaks, or the fingerprint region. The system's conclusion may be inaccurate—refer to Spectrum No. 15532 through 'find spectrum' mode

sample csv tem.csv

methyl-substituted heteroatom-containing organic material with C-O and possible N-H functionality

FTIR Spectrum Analysis Report