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1-(2-Trifluoroacetyloxy-5-methylphenyl)propan-1-one

View entire compound with spectra: 1 FTIR

1-(2-Trifluoroacetyloxy-5-methylphenyl)propan-1-one
SpectraBase Compound ID eSFYMD0FIW
InChI InChI=1S/C12H11F3O3/c1-3-9(16)8-6-7(2)4-5-10(8)18-11(17)12(13,14)15/h4-6H,3H2,1-2H3
InChIKey SREWVFDVOVXUCN-UHFFFAOYSA-N
Mol Weight 260.21 g/mol
Molecular Formula C12H11F3O3
Exact Mass 260.066029 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2B9tjxhDony
Name 1-(2-Trifluoroacetyloxy-5-methylphenyl)propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.066028700 u
Formula C12H11F3O3
InChI InChI=1S/C12H11F3O3/c1-3-9(16)8-6-7(2)4-5-10(8)18-11(17)12(13,14)15/h4-6H,3H2,1-2H3
InChIKey SREWVFDVOVXUCN-UHFFFAOYSA-N
Molecular Weight 260.212 g/mol
SMILES C1(OC(C(F)(F)F)=O)=C(C=C(C=C1)C)C(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811472