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3-Methyl-5-ethylpenol, trifluoroacetate

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3-Methyl-5-ethylpenol, trifluoroacetate
SpectraBase Compound ID 3JFyz2qbvk4
InChI InChI=1S/C11H11F3O2/c1-3-8-4-7(2)5-9(6-8)16-10(15)11(12,13)14/h4-6H,3H2,1-2H3
InChIKey AOPBWRRFHQOALB-UHFFFAOYSA-N
Mol Weight 232.2 g/mol
Molecular Formula C11H11F3O2
Exact Mass 232.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FAQ5pBBsV1k
Name 3-Methyl-5-ethylpenol, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.071114081 u
Formula C11H11F3O2
InChI InChI=1S/C11H11F3O2/c1-3-8-4-7(2)5-9(6-8)16-10(15)11(12,13)14/h4-6H,3H2,1-2H3
InChIKey AOPBWRRFHQOALB-UHFFFAOYSA-N
Molecular Weight 232.202 g/mol
SMILES C1=C(C=C(C=C1OC(C(F)(F)F)=O)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880713