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1-(2-Chlorophenyl)-2-oxopropyl acetate

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

1-(2-Chlorophenyl)-2-oxopropyl acetate
SpectraBase Compound ID JBmk6UjICHO
InChI InChI=1S/C11H11ClO3/c1-7(13)11(15-8(2)14)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3
InChIKey REOQFRDMPJGCJG-UHFFFAOYSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4mP3WPVT4f
Name 1-(2-Chlorophenyl)-2-oxopropyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.039671911 u
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-7(13)11(15-8(2)14)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3
InChIKey REOQFRDMPJGCJG-UHFFFAOYSA-N
Molecular Weight 226.659 g/mol
SMILES C1=CC(=C(C=C1)Cl)C(OC(=O)C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965733