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Benzoic acid, 2,4-diethoxy-, ethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Benzoic acid, 2,4-diethoxy-, ethyl ester
SpectraBase Compound ID A7qlODPHkUB
InChI InChI=1S/C13H18O4/c1-4-15-10-7-8-11(13(14)17-6-3)12(9-10)16-5-2/h7-9H,4-6H2,1-3H3
InChIKey XCKIALVAGKRVNP-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1J74fJCYTF8
Name Benzoic acid, 2,4-diethoxy-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-15-10-7-8-11(13(14)17-6-3)12(9-10)16-5-2/h7-9H,4-6H2,1-3H3
InChIKey XCKIALVAGKRVNP-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C(OC1=C(C(OCC)=O)C=CC(=C1)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829731