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2-Acetoxy-3-phenylhex-2-en-5-one

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

2-Acetoxy-3-phenylhex-2-en-5-one
SpectraBase Compound ID BySipOD5lPD
InChI InChI=1S/C14H16O3/c1-10(15)9-14(11(2)17-12(3)16)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3/b14-11+
InChIKey JUQMEKVRPXAUFE-SDNWHVSQSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Q7xvSLfLSg
Name 2-Acetoxy-3-phenylhex-2-en-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-10(15)9-14(11(2)17-12(3)16)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3/b14-11+
InChIKey JUQMEKVRPXAUFE-SDNWHVSQSA-N
Molecular Weight 232.279 g/mol
SMILES C1=CC=CC=C1\C(=C/(C)OC(C)=O)CC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81272