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Methyl 2-(2-bromo-4-methylphenoxy)-3-oxopropanoate

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

Methyl 2-(2-bromo-4-methylphenoxy)-3-oxopropanoate
SpectraBase Compound ID GVmfCtCHIrd
InChI InChI=1S/C11H11BrO4/c1-7-3-4-9(8(12)5-7)16-10(6-13)11(14)15-2/h3-6,10H,1-2H3
InChIKey PWLMVWHOENZVOW-UHFFFAOYSA-N
Mol Weight 287.11 g/mol
Molecular Formula C11H11BrO4
Exact Mass 285.984072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1wStbxgcffx
Name Methyl 2-(2-bromo-4-methylphenoxy)-3-oxopropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.984071830 u
Formula C11H11BrO4
InChI InChI=1S/C11H11BrO4/c1-7-3-4-9(8(12)5-7)16-10(6-13)11(14)15-2/h3-6,10H,1-2H3
InChIKey PWLMVWHOENZVOW-UHFFFAOYSA-N
Molecular Weight 287.109 g/mol
SMILES C(OC=1C(=CC(=CC1)C)Br)(C(=O)OC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914782