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4-Fluorobenzoic acid, 2-methylbutyl ester

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4-Fluorobenzoic acid, 2-methylbutyl ester
SpectraBase Compound ID 6IKbiKTYTB
InChI InChI=1S/C12H15FO2/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey MJYVSHREGDJTMZ-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 LYJYg50odcs
Name 4-Fluorobenzoic acid, 2-methylbutyl 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/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey MJYVSHREGDJTMZ-UHFFFAOYSA-N
Molecular Weight 210.248 g/mol
SMILES C(C1=CC=C(C=C1)F)(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944219