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oxygenated aliphatic ester/ether material

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Ergebnis Nr.: 20250529151336892256662 Besitzer: publicuser Kommentare: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250529151336892256662 Date: 2025-05-29 20:14:50 Reported by: FTIR.fun Contact: [email protected]

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Top15

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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

oxygenated aliphatic ester/ether material

General assessment
-
#10829 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. 1736 cm-1 is characteristic of an ester carbonyl band.
  2. 1243–1018 cm-1 contains the expected strong C–O stretching region for ester/ether functionality.
  3. 2931 and 2873 cm-1 are consistent with saturated aliphatic C–H stretching.
Main limitation

The library confidence is low, with top candidates all reported at 0.000 similarity, so the match quality does not justify a specific compound claim.

Evidence & interpretation
Evidence

Key evidence

Bibliotheks-Haupttreffer
1-methoxypropan-2-yl acetate #10829 | match 0.0%
Materialrichtung
oxygenated aliphatic ester/ether material The FTIR pattern is most consistent with an oxygenated aliphatic material containing a strong ester carbonyl and multiple C–O bands, rather than supporting a firm assignment to a single named compound. The nearest library hit is 1-methoxypropan-2-yl acetate, but the retrieval confidence is very low and no direct or related literature evidence independently confirms that specific identity.
Support

Evidence supporting the conclusion

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

  1. 1736 cm-1 is characteristic of an ester carbonyl band.
  2. 1243–1018 cm-1 contains the expected strong C–O stretching region for ester/ether functionality.
  3. 2931 and 2873 cm-1 are consistent with saturated aliphatic C–H stretching.
  4. 1453 and 1372 cm-1 support methyl/aliphatic deformation bands.
  5. The leading library set consistently favors small oxygenated acetate/ether compounds rather than hydrocarbons, amides, or strongly aromatic materials.
  6. A strong band at 1736 cm-1 supports an ester-type carbonyl.
  7. Bands at 1243, 1203, 1114, 1018, and 965 cm-1 are consistent with multiple C–O stretching and fingerprint features expected for ether- and ester-containing aliphatic compounds.
  8. Bands at 2931 and 2873 cm-1 together with 1453 and 1372 cm-1 support aliphatic C–H and methyl-containing groups.
  9. The top library candidates are dominated by acetate- and alkoxy-containing compounds such as 1-methoxypropan-2-yl acetate, 1-(3-methoxypropoxy)propyl acetate, and ethoxyethyl acetates, which collectively point toward an oxygenated aliphatic ester/ether direction.
  10. Because all reported library similarities are effectively zero and no external reference evidence narrowed the result, the library name should be treated only as the nearest catalog match, not a confirmed identification.
Limitations

Evidence that limits the conclusion

  • The library confidence is low, with top candidates all reported at 0.000 similarity, so the match quality does not justify a specific compound claim.
  • The library consensus phrase 'n h / methyl' is not supported by a clear N–H stretching band in the provided peak list.
  • A band at 2280 cm-1 is not explained by the leading acetate/ether candidates and may reflect background contribution, atmospheric interference, or an additional component.
  • The present evidence supports an oxygenated aliphatic ester/ether class more strongly than any single named substance.
  • It remains uncertain whether the sample is a pure acetate solvent, a related glycol ether acetate, or part of a more complex mixture.
  • The unexplained 2280 cm-1 feature limits confidence in a one-component assignment.
  • Without stronger matching spectra or orthogonal composition data, the nearest library name cannot be confirmed as the true sample identity.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with careful background subtraction and check whether the 2280 cm-1 band persists.
  • Inspect the spectrum for ester-specific companion bands and relative intensities against an authentic spectrum of 1-methoxypropan-2-yl acetate and closely related glycol ether acetates.
  • Use GC-MS if the sample is volatile to distinguish among methoxypropyl acetate, ethoxyethyl acetate, and related oxygenated solvents.
  • If the sample may be a mixture, perform chromatographic separation before spectral confirmation.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1243 1.00 - - - -
2 · 1114 0.98 - - - -
3 · 1736 0.95 - - - -
4 · 2873 0.52 - - - -
5 · 1372 0.48 - - - -
6 · 2931 0.47 - - - -
7 · 1018 0.36 - - - -
8 · 1203 0.32 - - - -
9 · 1453 0.30 - - - -
10 · 965 0.28 - - - -
11 · 2280 0.12 - - - -
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
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