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3-Hydroxy-4-methoxybenzoic acid, 1,1,1-trifluoro-2-propyl ester

View entire compound with spectra: 1 FTIR

3-Hydroxy-4-methoxybenzoic acid, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID A68gV0qZn9t
InChI InChI=1S/C11H11F3O4/c1-6(11(12,13)14)18-10(16)7-3-4-9(17-2)8(15)5-7/h3-6,15H,1-2H3
InChIKey VBXLXCASMQESMU-UHFFFAOYSA-N
Mol Weight 264.2 g/mol
Molecular Formula C11H11F3O4
Exact Mass 264.060943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5bJjKfBU77K
Name 3-Hydroxy-4-methoxybenzoic acid, 1,1,1-trifluoro-2-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.060943319 u
Formula C11H11F3O4
InChI InChI=1S/C11H11F3O4/c1-6(11(12,13)14)18-10(16)7-3-4-9(17-2)8(15)5-7/h3-6,15H,1-2H3
InChIKey VBXLXCASMQESMU-UHFFFAOYSA-N
Molecular Weight 264.200 g/mol
SMILES C(C1=CC=C(C(=C1)O)OC)(=O)OC(C(F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960129