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Trans-2',4'-dichloro-4-(methylthio)chalcone

View entire compound with spectra: 1 FTIR

Trans-2',4'-dichloro-4-(methylthio)chalcone
SpectraBase Compound ID AX0k4viYnaB
InChI InChI=1S/C16H12Cl2OS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(17)10-15(14)18/h2-10H,1H3/b9-4+
InChIKey LGQNQTIOCRYYHB-RUDMXATFSA-N
Mol Weight 323.24 g/mol
Molecular Formula C16H12Cl2OS
Exact Mass 321.998592 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lpbl75b0KMw
Name Trans-2',4'-dichloro-4-(methylthio)chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.998591579 u
Formula C16H12Cl2OS
InChI InChI=1S/C16H12Cl2OS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(17)10-15(14)18/h2-10H,1H3/b9-4+
InChIKey LGQNQTIOCRYYHB-RUDMXATFSA-N
Molecular Weight 323.237 g/mol
SMILES C1(=CC=C(C=C1Cl)Cl)C(\C=C\C1=CC=C(SC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904045