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(E)-3-Butylthio-1-(4-methylphenyl)-3-phenylprop-2-en-1-one

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

(E)-3-Butylthio-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
SpectraBase Compound ID 99UrLy231OP
InChI InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+
InChIKey PCTBBQXXSIYZHL-HMMYKYKNSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Qil8DLHxaV
Name (E)-3-Butylthio-1-(4-methylphenyl)-3-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 310.139136501 u
Formula C20H22OS
InChI InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+
InChIKey PCTBBQXXSIYZHL-HMMYKYKNSA-N
Molecular Weight 310.455 g/mol
SMILES C(\C=C/(C=1C=CC=CC1)SCCCC)(C=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875632