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4-Fluorobenzoic acid, 3-methylbut-2-yl ester

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4-Fluorobenzoic acid, 3-methylbut-2-yl ester
SpectraBase Compound ID 68UyWllNay0
InChI InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3
InChIKey NVTKUZMJTQYAIU-UHFFFAOYSA-N
Mol Weight 210.25 g/mol
Molecular Formula C12H15FO2
Exact Mass 210.105608 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 888cOzlHfT6
Name 4-Fluorobenzoic acid, 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.105607884 u
Formula C12H15FO2
InChI InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3
InChIKey NVTKUZMJTQYAIU-UHFFFAOYSA-N
Molecular Weight 210.248 g/mol
SMILES C1(=CC=C(C=C1)F)C(=O)OC(C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938234