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

View entire compound with spectra: 1 FTIR

1-(2-Acetyloxy-5-methylphenyl)propan-1-one
SpectraBase Compound ID F9QBjtAQx3J
InChI InChI=1S/C12H14O3/c1-4-11(14)10-7-8(2)5-6-12(10)15-9(3)13/h5-7H,4H2,1-3H3
InChIKey LIBAYJPMGLPZSW-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 822e1pnxEdS
Name 1-(2-Acetyloxy-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 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-4-11(14)10-7-8(2)5-6-12(10)15-9(3)13/h5-7H,4H2,1-3H3
InChIKey LIBAYJPMGLPZSW-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C1(OC(C)=O)=C(C=C(C=C1)C)C(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962443