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2-(4'-Methoxybenzoyl)-3,3-bis(benzylthio)-2-propenal

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

2-(4'-Methoxybenzoyl)-3,3-bis(benzylthio)-2-propenal
SpectraBase Compound ID AFxthquuNg1
InChI InChI=1S/C25H22O3S2/c1-28-22-14-12-21(13-15-22)24(27)23(16-26)25(29-17-19-8-4-2-5-9-19)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3
InChIKey QAPVXWWTMXFPSM-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C25H22O3S2
Exact Mass 434.101037 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8MaXX5WTdh8
Name 2-(4'-Methoxybenzoyl)-3,3-bis(benzylthio)-2-propenal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.101036913 u
Formula C25H22O3S2
InChI InChI=1S/C25H22O3S2/c1-28-22-14-12-21(13-15-22)24(27)23(16-26)25(29-17-19-8-4-2-5-9-19)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3
InChIKey QAPVXWWTMXFPSM-UHFFFAOYSA-N
Molecular Weight 434.568 g/mol
SMILES C(=C(SCC=1C=CC=CC1)SCC=1C=CC=CC1)(C(C1=CC=C(C=C1)OC)=O)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94485