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(E)-3-Mesityl-1-phenylprop-2-en-1-one

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-3-Mesityl-1-phenylprop-2-en-1-one
SpectraBase Compound ID FPZkILuv1PP
InChI InChI=1S/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKey KPFVYLKSZJDQAE-MDZDMXLPSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5udoRQ56Wp
Name (E)-3-Mesityl-1-phenylprop-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.135765199 u
Formula C18H18O
InChI InChI=1S/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKey KPFVYLKSZJDQAE-MDZDMXLPSA-N
Molecular Weight 250.341 g/mol
SMILES C(\C=C\C1=C(C)C=C(C)C=C1C)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954127