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Trifluoroacetic acid, 4-methoxybenzyl ester

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Trifluoroacetic acid, 4-methoxybenzyl ester
SpectraBase Compound ID 8Vwq5uKUxIi
InChI InChI=1S/C10H9F3O3/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKey BSBVVLYNTXIZSP-UHFFFAOYSA-N
Mol Weight 234.17 g/mol
Molecular Formula C10H9F3O3
Exact Mass 234.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IXdr1bG0Q0t
Name Trifluoroacetic acid, 4-methoxybenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.050378636 u
Formula C10H9F3O3
InChI InChI=1S/C10H9F3O3/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKey BSBVVLYNTXIZSP-UHFFFAOYSA-N
Molecular Weight 234.174 g/mol
SMILES COC1=CC=C(COC(C(F)(F)F)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809648