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4-Ethylbenzoic acid, 2-methoxyethyl ester

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

4-Ethylbenzoic acid, 2-methoxyethyl ester
SpectraBase Compound ID JCLTYKrYBAb
InChI InChI=1S/C12H16O3/c1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h4-7H,3,8-9H2,1-2H3
InChIKey QLQGXUQTGLTLET-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KDCITIDVYde
Name 4-Ethylbenzoic acid, 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h4-7H,3,8-9H2,1-2H3
InChIKey QLQGXUQTGLTLET-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C(C1=CC=C(CC)C=C1)(OCCOC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912677