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Acetic acid, 2-(4-dimethylaminophenyl)-2-oxo-, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

Acetic acid, 2-(4-dimethylaminophenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID 20aMDnV9ZAZ
InChI InChI=1S/C12H16N2O3/c1-4-17-12(16)11(15)13-9-5-7-10(8-6-9)14(2)3/h5-8H,4H2,1-3H3,(H,13,15)
InChIKey XRTFATLKBTZWRI-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Q3FPMCQVTY
Name Acetic acid, 2-(4-dimethylaminophenyl)-2-oxo-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-4-17-12(16)11(15)13-9-5-7-10(8-6-9)14(2)3/h5-8H,4H2,1-3H3,(H,13,15)
InChIKey XRTFATLKBTZWRI-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES C(C(=O)OCC)(NC=1C=CC(=CC1)N(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966695