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3,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester

View entire compound with spectra: 1 FTIR

3,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID DX68FktQ3XK
InChI InChI=1S/C13H16F2O3/c1-9(5-6-17-2)8-18-13(16)10-3-4-11(14)12(15)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey HADJRDQLGVOPHW-UHFFFAOYSA-N
Mol Weight 258.26 g/mol
Molecular Formula C13H16F2O3
Exact Mass 258.106751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EEBvTJM7mgv
Name 3,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.106750698 u
Formula C13H16F2O3
InChI InChI=1S/C13H16F2O3/c1-9(5-6-17-2)8-18-13(16)10-3-4-11(14)12(15)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey HADJRDQLGVOPHW-UHFFFAOYSA-N
Molecular Weight 258.265 g/mol
SMILES C1=C(C=CC(=C1F)F)C(=O)OCC(CCOC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881432