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aliphatic hydrocarbon material with methyl-substituted saturated chain or ring character

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N° de résultat: 20250417141837629213870 Propriétaire: publicuser Commentaires: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250417141837629213870 Date: 2025-04-17 10:26:07 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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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

aliphatic hydrocarbon material with methyl-substituted saturated chain or ring character

General assessment
-
#9446 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Observed peaks at 2848, 2916, and 2949 cm-1 are characteristic of aliphatic sp3 C-H stretching.
  2. Observed peaks at 1459 and 1374 cm-1 support CH2/CH3 deformation, consistent with methyl-substituted aliphatic material.
  3. Leading library candidates cluster around saturated methyl-containing hydrocarbons and polyolefin-like materials.
Main limitation

The library confidence is low, with all reported similarities at 0.0, so the top hit cannot be treated as a reliable entity identification.

Evidence & interpretation
Evidence

Key evidence

Correspondance principale de la bibliothèque
1,4-Dimethylcyclohexane #9446 | match 0.0%
Direction du matériau
aliphatic hydrocarbon material with methyl-substituted saturated chain or ring character The FTIR pattern is most consistent with a largely saturated aliphatic hydrocarbon material showing methyl-containing CH stretching and bending bands, but the library match to 1,4-Dimethylcyclohexane is not strong enough to support a firm single-compound identification. The observed spectrum fits a broader hydrocarbon direction better than a specific named molecule.
Support

Evidence supporting the conclusion

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

  1. The FTIR pattern is most consistent with a largely saturated aliphatic hydrocarbon material showing methyl-containing CH stretching and bending bands, but the library match to 1,4-Dimethylcyclohexane is not strong enough to support a firm single-compound identification. The observed spectrum fits a broader hydrocarbon direction better than a specific named molecule.
  2. Observed peaks at 2848, 2916, and 2949 cm-1 are characteristic of aliphatic sp3 C-H stretching.
  3. Observed peaks at 1459 and 1374 cm-1 support CH2/CH3 deformation, consistent with methyl-substituted aliphatic material.
  4. Leading library candidates cluster around saturated methyl-containing hydrocarbons and polyolefin-like materials.
  5. The sample shows strong aliphatic C-H stretching at 2848, 2916, and 2949 cm-1 together with methyl/methylene deformation bands at 1459 and 1374 cm-1, which supports a saturated hydrocarbon backbone containing methyl groups.
  6. Bands at 718, 840, 972, and 998 cm-1 indicate fingerprint-region structure within an aliphatic material, but by themselves they are not sufficiently distinctive to confirm the retrieved small cycloalkane specifically.
  7. The Top-15 library pattern is dominated by hydrocarbon-like candidates such as dimethylcyclohexane isomers, polypropylene/ethylene-propylene materials, and poly(1-butene), which collectively supports a methyl-rich saturated hydrocarbon direction.
Limitations

Evidence that limits the conclusion

  • The library confidence is low, with all reported similarities at 0.0, so the top hit cannot be treated as a reliable entity identification.
  • The retrieved feature list includes heteroatom-related clues such as oxygen, carbonyl, chlorine, bromine, and sulfur-associated terms, but these are not convincingly supported by the observed peak set.
  • The spectrum does not show clear confirming bands that would securely distinguish a specific small cycloalkane from a polyolefin or other saturated hydrocarbon material.
  • It remains uncertain whether the sample is a discrete cycloalkane-like compound or a hydrocarbon polymer/polyolefin-type material.
  • Fingerprint bands in the 700-1200 cm-1 region are present but insufficiently specific here for a narrow assignment.
  • Without corroborating reference or literature matches, the current evidence supports only a broad aliphatic hydrocarbon direction.
Recommendation

Suggested next verification

  • Compare the spectrum directly against authenticated reference spectra for 1,4-dimethylcyclohexane, polypropylene, ethylene-propylene rubber, and poly(1-butene).
  • Inspect the sample with Raman spectroscopy or GC-MS if it is extractable/volatile, to distinguish a small hydrocarbon from a polyolefin material.
  • Reacquire the FTIR spectrum with improved baseline and full fingerprint-region quality, paying close attention to the 700-1200 cm-1 region for more specific pattern matching.
  • If the sample is solid, thermal analysis such as DSC can help test whether it behaves like a polyolefin rather than a low-molecular-weight hydrocarbon.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 2916 1.00 - - - -
2 · 1374 0.59 - - - -
3 · 2949 0.57 - - - -
4 · 2848 0.44 - - - -
5 · 1459 0.43 - - - -
6 · 998 0.23 - - - -
7 · 1031 0.22 - - - -
8 · 1100 0.18 - - - -
9 · 972 0.17 - - - -
10 · 1166 0.14 - - - -
11 · 718 0.13 - - - -
12 · 840 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:

Sample spectrum image
Discussion

Commentaires et preuves de suivi

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Admin  de : Seattle, United States
  • 17 Avr '25

This IR spectrum is one of the files previously uploaded by a user from India (IP: 14.xxx.xxx.121). Since the uploaded files already include CSV or SPA formats—both of which support direct web-based queries—please upload each SPA or CSV file individually for analysis, rather than in a ZIP archive.1.png

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