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2-(4-Methoxyphenyl)-2-(phenylthio)penta-3,4-dienal

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

2-(4-Methoxyphenyl)-2-(phenylthio)penta-3,4-dienal
SpectraBase Compound ID FMbkOiAmLaY
InChI InChI=1S/C18H16O2S/c1-3-13-18(14-19,21-17-7-5-4-6-8-17)15-9-11-16(20-2)12-10-15/h4-14H,1H2,2H3
InChIKey IHYQLLCZPABUEK-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IUUsqjphfrv
Name 2-(4-Methoxyphenyl)-2-(phenylthio)penta-3,4-dienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.087100927 u
Formula C18H16O2S
InChI InChI=1S/C18H16O2S/c1-3-13-18(14-19,21-17-7-5-4-6-8-17)15-9-11-16(20-2)12-10-15/h4-14H,1H2,2H3
InChIKey IHYQLLCZPABUEK-UHFFFAOYSA-N
SMILES C(C(C1=CC=C(C=C1)OC)(C=O)SC1=CC=CC=C1)=C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918596