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Benzoic acid, 2-(2-methoxyethyl)hexyl ester

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

Benzoic acid, 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID Lh9jScD6v4w
InChI InChI=1S/C16H24O3/c1-3-4-8-14(11-12-18-2)13-19-16(17)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3
InChIKey XPFIBKILBHEPLF-UHFFFAOYSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxrZVfGf8zs
Name Benzoic acid, 2-(2-methoxyethyl)hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.172544630 u
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-3-4-8-14(11-12-18-2)13-19-16(17)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3
InChIKey XPFIBKILBHEPLF-UHFFFAOYSA-N
Molecular Weight 264.365 g/mol
SMILES COCCC(COC(C1=CC=CC=C1)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959694