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oxygenated aliphatic organic material with C-O bonding and probable hydroxyl or ether functionality

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결과 번호: 20250628161834444728332 소유자: publicuser 댓글: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250628161834444728332 Date: 2025-06-28 08:20:09 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Choose matching result groups:
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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

oxygenated aliphatic organic material with C-O bonding and probable hydroxyl or ether functionality

General assessment
-
#382 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Strong bands at 1026, 1052, 1104, and 1158 cm-1 support prominent C-O bonding.
  2. A band at 3276 cm-1 supports possible hydroxyl-containing chemistry.
  3. A band at 2897 cm-1 supports an aliphatic organic backbone.
Main limitation

The observed 3276 cm-1 band is not an especially good fit for a narrow assignment to a simple acetal/haloacetal unless hydrogen bonding, impurity, or moisture is involved.

Evidence & interpretation
Evidence

Key evidence

라이브러리 최우선 일치
2-Bromo-1,1-diethoxyethane #382 | match 0.0%
재료 방향
oxygenated aliphatic organic material with C-O bonding and probable hydroxyl or ether functionality The library top hit is 2-Bromo-1,1-diethoxyethane, but the retrieval is not reliable enough for a compound-level assignment because all reported library similarities are 0.000 and no direct or related literature evidence independently supports that identity. The measured spectrum is more safely described as an oxygenated aliphatic organic material showing strong C-O stretching bands and a high-wavenumber band consistent with hydroxyl-containing and/or ether-containing chemistry.
Support

Evidence supporting the conclusion

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

  1. Strong bands at 1026, 1052, 1104, and 1158 cm-1 support prominent C-O bonding.
  2. A band at 3276 cm-1 supports possible hydroxyl-containing chemistry.
  3. A band at 2897 cm-1 supports an aliphatic organic backbone.
  4. The broader top-15 library pattern is dominated by oxygen-containing organic compounds, consistent with the sample peaks.
  5. The strongest observed features are clustered at 1026, 1052, 1104, and 1158 cm-1, a pattern that is characteristic of substantial C-O stretching intensity and is consistent with alcohol, ether, acetal, or related oxygenated aliphatic structures.
  6. A band at 3276 cm-1 is consistent with O-H stretching and therefore supports hydroxyl-containing chemistry; if this band is real and not due to moisture, it makes a simple non-hydroxyl ether-only assignment less secure.
  7. The band at 2897 cm-1 supports aliphatic C-H stretching.
  8. The 1639 cm-1 feature is not sufficient on its own to establish a specific functional group here and may reflect weak unsaturation, absorbed water bending, or another non-specific contribution.
  9. Across the top-15 library names, many candidates contain oxygen-bearing groups such as alcohols, polyols, ethers, acetals, or alkoxy functionalities, so the broad oxygenated-organic direction is consistent with the overall retrieval pattern, even though no single candidate is convincingly matched.
  10. The low-wavenumber band at 661 cm-1 could be compatible with a heavy-atom or out-of-plane vibration, but it does not specifically confirm a brominated compound in the absence of stronger corroborating evidence.
Limitations

Evidence that limits the conclusion

  • The observed 3276 cm-1 band is not an especially good fit for a narrow assignment to a simple acetal/haloacetal unless hydrogen bonding, impurity, or moisture is involved.
  • No clear identifying band set specifically confirming brominated ethoxy acetal chemistry is provided.
  • The present evidence does not distinguish confidently between alcohol-rich, ether-rich, acetal-like, or mixed oxygenated aliphatic materials.
  • The significance of the 1639 cm-1 band remains unclear.
  • The low-wavenumber 661 cm-1 feature is too non-specific to prove halogen substitution.
  • Because the reference library comparison is uniformly weak, the top hit should be treated only as a tentative nearest library name, not as a confirmed material identity.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum after careful drying or purging to determine whether the 3276 and 1639 cm-1 bands arise from moisture; this is important for deciding between hydroxyl-containing material and a more purely ether/acetal-like material.
  • Inspect the sample by ATR-FTIR and, if possible, transmission FTIR over repeat runs to confirm whether the 1026-1158 cm-1 band pattern is stable and intrinsic to the sample.
  • Use GC-MS or LC-MS if the sample is a small molecule or mixture; this would quickly test whether the library top name 2-Bromo-1,1-diethoxyethane is chemically plausible.
  • If bromine is specifically suspected, confirm with elemental analysis such as XRF, EDS, or MS isotopic pattern inspection rather than relying on the 661 cm-1 band alone.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1026 1.00 - - - -
2 · 1052 0.91 - - - -
3 · 1104 0.55 - - - -
4 · 3276 0.41 - - - -
5 · 661 0.29 - - - -
6 · 1158 0.28 - - - -
7 · 1314 0.27 - - - -
8 · 2897 0.24 - - - -
9 · 1426 0.17 - - - -
10 · 1639 0.15 - - - -
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:

Sample spectrum image
토론

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