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2-Fluorobenzoic acid, 6-ethyl-2-octyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Fluorobenzoic acid, 6-ethyl-2-octyl ester
SpectraBase Compound ID Hsihi8vAUDA
InChI InChI=1S/C17H25FO2/c1-4-13(5-2)11-12-14(6-3)20-17(19)15-9-7-8-10-16(15)18/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKey WXXRFSQBIJJUGL-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C17H25FO2
Exact Mass 280.183858 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3CpljYJf0Uy
Name 2-Fluorobenzoic acid, 6-ethyl-2-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.183858206 u
Formula C17H25FO2
InChI InChI=1S/C17H25FO2/c1-4-13(5-2)11-12-14(6-3)20-17(19)15-9-7-8-10-16(15)18/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKey WXXRFSQBIJJUGL-UHFFFAOYSA-N
Molecular Weight 280.383 g/mol
SMILES CCC(CC)CCC(CC)OC(=O)C1=C(F)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831336