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(S)-4-acetoxy-1-phenyl-1-penten-3-one

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

(S)-4-acetoxy-1-phenyl-1-penten-3-one
SpectraBase Compound ID A3bDvB382Nt
InChI InChI=1S/C13H14O3/c1-10(16-11(2)14)13(15)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+/t10-/m0/s1
InChIKey SWXHJKHDTJTJSO-DDXVTDLHSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6dOd1kvv8wp
Name (S)-4-Acetoxy-1-phenyl-1-penten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-10(16-11(2)14)13(15)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+/t10-/m0/s1
InChIKey SWXHJKHDTJTJSO-DDXVTDLHSA-N
Molecular Weight 218.252 g/mol
SMILES C(\C=C\C=1C=CC=CC1)([C@@](OC(=O)C)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956747