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Phenylglyoxylic acid, 2-methylpropyl ester

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Phenylglyoxylic acid, 2-methylpropyl ester
SpectraBase Compound ID IGL5hXtUOc0
InChI InChI=1S/C12H14O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey CAHMRACQUKLCGJ-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvAQlmmt9EO
Name Phenylglyoxylic acid, 2-methylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey CAHMRACQUKLCGJ-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C1=CC=CC(=C1)C(C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823961