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3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester

View entire compound with spectra: 1 FTIR

3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester
SpectraBase Compound ID 1KYTS2LULaJ
InChI InChI=1S/C13H15F3O3/c1-7(2)4-5-19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3
InChIKey JYPKDBYMJHSICM-UHFFFAOYSA-N
Mol Weight 276.26 g/mol
Molecular Formula C13H15F3O3
Exact Mass 276.097329 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1bwZAJrBk23
Name 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.097328829 u
Formula C13H15F3O3
InChI InChI=1S/C13H15F3O3/c1-7(2)4-5-19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3
InChIKey JYPKDBYMJHSICM-UHFFFAOYSA-N
Molecular Weight 276.255 g/mol
SMILES CC(C)CCOC(C1=C(C(=C(F)C(=C1)F)OC)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900705