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Acetoxyacetic acid, 3-ethylphenyl ester

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Acetoxyacetic acid, 3-ethylphenyl ester
SpectraBase Compound ID CLFPKzkeVsf
InChI InChI=1S/C12H14O4/c1-3-10-5-4-6-11(7-10)16-12(14)8-15-9(2)13/h4-7H,3,8H2,1-2H3
InChIKey FMTUBNZETJPNHI-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3DgMDMYzEfp
Name Acetoxyacetic acid, 3-ethylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-10-5-4-6-11(7-10)16-12(14)8-15-9(2)13/h4-7H,3,8H2,1-2H3
InChIKey FMTUBNZETJPNHI-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(COC(C)=O)(=O)OC1=CC=CC(CC)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843944