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Propylcyclohexane

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Ergebnis Nr.: 20260116125308778245329 Besitzer: Admin Kommentare: 0

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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260116125308778245329 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.

Infrared spectrum comparison chart. Analysis result: Propylcyclohexane.

The sample is identified as propylcyclohexane, a saturated cyclic hydrocarbon, based on a high-confidence library match (Propylcyclohexane, similarity 0.996) and the presence of characteristic aliphatic C-H stretching and bending bands. The spectrum lacks evidence for aromatic, oxygen-containing, or nitrogen-containing functional groups, confirming a pure hydrocarbon composition. The dominant bands arise from long methylene chains, consistent with a cycloalkane or linear alkane

Library spectrum Interactive sample curve Move the pointer to show the vertical guide line.

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

Propylcyclohexane

Entity identified

LLM-Konfidenz

#19879 Current rank 1

Conclusion

Literature sources consistently assign the 2926, 2858, and 1376 cm⁻¹ bands to aliphatic hydrocarbon moieties [1][2][4].
The strong bands at 2926 and 2858 cm⁻¹ arise from asymmetric and symmetric C–H stretching of methylene (CH₂) groups, respectively [4][2].
The absorption at 1460 cm⁻¹ corresponds to CH₂ scissoring, and the band at 1376 cm⁻¹ is assigned to symmetric CH₃ bending, both consistent with a saturated alkane backbone [1].

Evidence

Key evidence

Bibliotheks-Haupttreffer

Propylcyclohexane #19879

Limitations

Evidence that limits the conclusion

One literature source attributes the 1460 cm⁻¹ band to an aromatic group [3]; however, this conflicts with the absence of other aromatic features and the overall aliphatic character of the spectrum.
The presence of minor branching or trace unsaturation cannot be ruled out solely from the four observed bands.
The exact chain length and cyclic versus linear structure remain partially ambiguous, as the spectral signature is similar for long-chain alkanes and cycloalkanes.

Recommendation

Suggested next verification

Verify the identity and purity using gas chromatography–mass spectrometry (GC–MS) or nuclear magnetic resonance (NMR) spectroscopy to confirm the cyclic alkane structure and assess chain length.
If the sample is a mixture, additional purification steps may be needed to isolate the major component for definitive characterization.

Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	★	2926	1.00	Literaturgestützte Zuordnung	Die Bande bei 2926 cm-1 wird alkyl C-H vibration[7] zugeordnet.	[7]	LLM-Konfidenz
2	★	2858	0.71	Literaturgestützte Zuordnung	Die Bande bei 2858 cm-1 wird alkyl C-H vibration[6] zugeordnet.	[6]	LLM-Konfidenz
3	★	1460	0.39	Literaturgestützte Zuordnung	Die Bande bei 1460 cm-1 wird alkyl C-H vibration[5] zugeordnet.	[5]	LLM-Konfidenz
4	★	1376	0.20	Literaturgestützte Zuordnung	Die Bande bei 1376 cm-1 wird alkyl C-H vibration[4] zugeordnet.	[4]	LLM-Konfidenz

Literature

References

No.	Title	DOI	Page
[1]	Depciuch 等 - 2020 - Similarities in the General Chemical Composition o	10.3390/ijms21051826	5
[2]	Sotoudehnia 和 McDonald - 2022 - Upgrading Mixed Agricultural Plastic and Lignocell	10.3390/catal12111381	15
[3]	Mikolaszek 等 - 2022 - Microscopic and Spectroscopic Imaging and Thermal	10.3390/polym14142888	9
[4]	Xu 等 - 2021 - A Rapid Method for the Determination of SBS Conten	10.3390/app112210911	8
[5]	Varol 和 Mutlu - 2023 - TGA-FTIR Analysis of Biomass Samples Based on the	10.3390/en16093674	7
[6]	Eddy 等 - 2018 - Experimental and computational chemistry studies o	10.1080/16583655.2018.1500514	9
[7]	Drob 等 - 2023 - Technological and Functional Approaches Applied to	10.3390/app13042093	14

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): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image

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