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Methyl 3-oxo-2-(3'-acetyl)phenylbutanoate

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

Methyl 3-oxo-2-(3'-acetyl)phenylbutanoate
SpectraBase Compound ID dP6u3AFt6P
InChI InChI=1S/C13H14O4/c1-8(14)10-5-4-6-11(7-10)12(9(2)15)13(16)17-3/h4-7,12H,1-3H3
InChIKey XDCRDRJBBBRUIM-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 188fpmimUFn
Name Methyl 3-oxo-2-(3'-acetyl)phenylbutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8(14)10-5-4-6-11(7-10)12(9(2)15)13(16)17-3/h4-7,12H,1-3H3
InChIKey XDCRDRJBBBRUIM-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C(C=1C=C(C(=O)C)C=CC1)(C(=O)OC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954148