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Propanoic acid, 3-(benzoyloxy)-2-methyl-, methyl ester
SpectraBase Compound ID JlUsSFBBuXr
InChI InChI=1S/C12H14O4/c1-9(11(13)15-2)8-16-12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey WNADMYJZFVSGLU-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 I8lrdnIDHEL
Name Propanoic acid, 3-(benzoyloxy)-2-methyl-, methyl 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/c1-9(11(13)15-2)8-16-12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey WNADMYJZFVSGLU-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1=CC(=CC=C1)C(OCC(C(OC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972066